Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4999 | 1.00 | SMN1; SMN2 (0.35) | SMN1; SMN2HPGDKMT2AEPHX1ALDH1A1 | |
| SCHEMBL665298 | 1.00 | SMN1; SMN2 (0.35) | SMN1; SMN2HPGDKMT2AEPHX1ALDH1A1 | |
| SCHEMBL4526940 | 0.88 | SMN1; SMN2 (0.42) | SMN1; SMN2HPGDKMT2AEPHX1ALDH1A1 | |
| SCHEMBL3549900 | 0.83 | — | — | |
| SCHEMBL1489900 | 0.82 | MTNR1A (0.41) | SMN1; SMN2KMT2ANPSR1LMNAMEN1 | |
| SCHEMBL1578923 | 0.79 | SMYD3 (0.46) | SMN1; SMN2 | |
| SCHEMBL8102383 | 0.77 | GNAI3 (0.49) | SMN1; SMN2HPGDKMT2AALDH1A1HDAC3 | |
| SCHEMBL1578941 | 0.75 | SMN1; SMN2 (0.49) | SMN1; SMN2KMT2AEPHX1ALDH1A1NPSR1 | |
| SCHEMBL2093857 | 0.75 | — | — | |
| SCHEMBL666297 | 0.75 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7655652-B2 | 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis | ASTRAZENECA AB (SE) | 2010-02-02 | — | — | US | claimed |
| US-20070161615-A1 | Chemical compounds | ASTRAZENECA AB (SE) | 2007-07-12 | — | — | US | claimed |
| US-20060205697-A1 | Novel betulin derivatives, preparation thereof and use thereof | MYREXIS, INC. | 2006-09-14 | — | — | US | claimed |
| US-20170096446-A1 | Extended Triterpene Derivatives | MYREXIS, INC. (US) | 2017-04-06 | — | — | US | disclosed |
| US-9505800-B2 | Extended triterpene derivatives | MYREXIS, INC. (US) | 2016-11-29 | — | — | US | disclosed |
| US-20120046291-A1 | Extended Triterpene Derivatives | MYREXIS, INC. | 2012-02-23 | — | — | US | disclosed |
| US-7655652-B2 | 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis | ASTRAZENECA AB (SE) | 2010-02-02 | — | — | US | disclosed |
| US-20070161615-A1 | Chemical compounds | ASTRAZENECA AB (SE) | 2007-07-12 | — | — | US | disclosed |
| US-20060205697-A1 | Novel betulin derivatives, preparation thereof and use thereof | MYREXIS, INC. | 2006-09-14 | — | — | US | 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-20060205697-A1 | Novel betulin derivatives, preparation thereof and use thereof | BET1, PGGT1B, TMPO | SMN1; SMN2 4756/4885HPGD 254/4885KMT2A 4655/4885 |
| US-20170096446-A1 | Extended Triterpene Derivatives | BET1, PGGT1B, TMPO | SMN1; SMN2 4762/4885HPGD 3167/4885KMT2A 4482/4885 |
| US-20070161615-A1 | Chemical compounds | MKI67, PCNA, CCNI | SMN1; SMN2 2427/4885HPGD 552/4885KMT2A 2406/4885 |
| US-20120046291-A1 | Extended Triterpene Derivatives | BET1, PGGT1B, TMPO | SMN1; SMN2 4762/4885HPGD 3167/4885KMT2A 4482/4885 |
“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.