Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 4/20 | 0.38 |
| ▸ | HRH1 | P35367 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4538293 | 0.76 | KDM4E (0.45) | KDM4EALDH1A1HTR2AHRH1TDP1 | |
| SCHEMBL27539875 | 0.74 | KDM4E (0.43) | KDM4EALDH1A1HTR2AHRH1TDP1 | |
| SCHEMBL119992 | 0.72 | TSHR (0.44) | ALDH1A1LMNACYP1A2CYP2D6TSHR | |
| SCHEMBL96935 | 0.72 | HCAR2 (0.43) | KDM4EALDH1A1LMNAADRA2AADRA2B | |
| SCHEMBL16970628 | 0.72 | HCAR2 (0.43) | KDM4EALDH1A1LMNAADRA2AADRA2B | |
| SCHEMBL7454768 | 0.72 | TSHR (0.44) | ALDH1A1LMNACYP1A2CYP2D6TSHR | |
| SCHEMBL16970750 | 0.72 | HCAR2 (0.43) | KDM4EALDH1A1LMNAADRA2AADRA2B | |
| SCHEMBL857 | 0.72 | IDO1 (0.39) | HTR2AHRH1LMNACHRM1CYP1A2 | |
| SCHEMBL9793557 | 0.71 | KMT2A (0.46) | KDM4EALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5519744 | 0.69 | THRB (0.42) | KDM4EALDH1A1HTR2ALMNACHRM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080033165-A1 | [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use | KOPPEL GARY A | 2008-02-07 | — | — | US | disclosed |
| US-7268125-B2 | β-lactamyl vasopressin V1a antagonists | AZEVAN PHARMACEUTICALS, INC. (US) | 2007-09-11 | — | — | US | disclosed |
| US-20060217364-A1 | Beta-lactamyl vasopressin V1a antagonists | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2006-09-28 | — | — | 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 (2 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-20060217364-A1 | Beta-lactamyl vasopressin V1a antagonists | AVPR1A, AVPR2, AVPR1B | KDM4E 3653/4885ALDH1A1 1170/4885HTR2A 170/4885 |
| US-20080033165-A1 | [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use | AVPR2, AVPR1A, AVPR1B | KDM4E 2755/4885ALDH1A1 818/4885HTR2A 122/4885 |
“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.