Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Diisopropanolamine SCHEMBL22774 | 0.96 | — | — | |
| Diisopropanolamine SCHEMBL10618901 | 0.96 | — | — | |
| Diisopropanolamine SCHEMBL3362609 | 0.93 | ALDH1A1 (0.43) | TSHRTDP1ALDH1A1CYP1A2CYP2D6 | |
| Diisopropanolamine SCHEMBL26967085 | 0.93 | TSHR (0.41) | TSHRTDP1ALDH1A1CYP1A2CYP2D6 | |
| Diisopropanolamine SCHEMBL6858463 | 0.93 | TSHR (0.41) | TSHRTDP1ALDH1A1CYP1A2CYP2D6 | |
| Diisopropanolamine SCHEMBL28181731 | 0.93 | TSHR (0.41) | TSHRTDP1ALDH1A1CYP1A2CYP2D6 | |
| Diisopropanolamine SCHEMBL7592152 | 0.93 | TSHR (0.41) | TSHRTDP1ALDH1A1CYP1A2CYP2D6 | |
| Diisopropanolamine SCHEMBL28590399 | 0.93 | TSHR (0.41) | TSHRTDP1ALDH1A1CYP1A2CYP2D6 | |
| Diisopropanolamine SCHEMBL28262309 | 0.90 | TSHR (0.39) | TSHRTDP1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL23665148 | 0.87 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9463187-B2 | Methylphenidate derivatives and uses of them | AMPIO PHARMACEUTICALS, INC. (US) | 2016-10-11 | — | — | US | disclosed |
| US-8865130-B2 | Methods and compositions for diagnostic and therapeutic targeting of COX-2 | VANDERBILT UNIVERSITY (US) | 2014-10-21 | — | — | US | disclosed |
| US-20130052138-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | VANDERBILT UNIVERSITY (US) | 2013-02-28 | — | — | US | disclosed |
| US-20120101129-A1 | Methylphenidate Derivatives and Uses of Them | AMPIO PHARMACEUTICALS, INC. | 2012-04-26 | — | — | US | disclosed |
| US-8143302-B2 | Methods and compositions for diagnostic and therapeutic targeting of COX-2 | VANDERBILT UNIVERSITY (US) | 2012-03-27 | — | — | US | disclosed |
| US-8076485-B2 | Methylphenidate derivatives and uses of them | INSTITUTE FOR MOLECULAR MEDICINE, INC. (US) | 2011-12-13 | — | — | US | disclosed |
| US-20100254910-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | VANDERBILT UNIVERSITY (US) | 2010-10-07 | — | — | US | disclosed |
| US-7736624-B2 | derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy | UNIV VANDERBILT (US) | 2010-06-15 | — | — | US | disclosed |
| EP-2040699-A2 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | Vanderbilt University Medical Center (US) | 2009-04-01 | — | — | EP | disclosed |
| WO-2007149456-A2 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | VANDERBILT UNIVERSITY (US) | 2007-12-27 | — | — | WO | disclosed |
| US-20070292352-A1 | derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy | VANDERBILT UNIVERSITY (US) | 2007-12-20 | — | — | US | disclosed |
| WO-1999036403-A1 | NOVEL DOPAMINE RE-UPTAKE INHIBITORS AND METHODS OF SYNTHESIZING AND USING THE SAME | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1999-07-22 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100254910-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | PTGS2, PTGES2, PTGER2 | TSHR 3870/4885TDP1 3386/4885ALDH1A1 1584/4885 |
| US-20070292352-A1 | derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy | PTGES2, PTGS2, PTGER2 | TSHR 3413/4885TDP1 3662/4885ALDH1A1 1233/4885 |
| US-20130052138-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | PTGS2, PTGES2, PTGER2 | TSHR 3870/4885TDP1 3386/4885ALDH1A1 1584/4885 |
| US-20120101129-A1 | Methylphenidate Derivatives and Uses of Them | SLC6A3, COMT, UGT1A1 | TSHR 827/4885TDP1 389/4885ALDH1A1 335/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.