Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 4/20 | 0.52 |
| ▸ | MAOA | P21397 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | CDK4 | P11802 | 1/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.48 |
| ▸ | CCND1 | P24385 | 1/20 | 0.48 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2930460 | 1.00 | NR1H4 (0.59) | NR1H4ALDH1A1KDM4EPKMMAOB | |
| SCHEMBL2930457 | 1.00 | NR1H4 (0.59) | NR1H4ALDH1A1KDM4EPKMMAOB | |
| SCHEMBL3967800 | 0.90 | KDM4E (0.56) | ALDH1A1KDM4EPKMMAOBMAOA | |
| SCHEMBL3967797 | 0.90 | KDM4E (0.56) | ALDH1A1KDM4EPKMMAOBMAOA | |
| SCHEMBL2933539 | 0.86 | MEN1 (0.60) | ALDH1A1KDM4EPKMMAOBMAOA | |
| SCHEMBL3752209 | 0.86 | MEN1 (0.60) | ALDH1A1KDM4EPKMMAOBMAOA | |
| SCHEMBL13082048 | 0.85 | TLR4 (0.47) | NR1H4ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL12191876 | 0.85 | NR1H4 (0.62) | NR1H4ALDH1A1KDM4EPKMMAOB | |
| SCHEMBL5381356 | 0.85 | NR1H4 (0.62) | NR1H4ALDH1A1KDM4EPKMMAOB | |
| SCHEMBL5485852 | 0.85 | NR1H4 (0.62) | NR1H4ALDH1A1KDM4EPKMMAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100298347-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD (CA) | 2010-11-25 | — | — | US | disclosed |
| US-20100298347-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD (CA) | 2010-11-25 | — | — | US | disclosed |
| EP-2229373-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | Merck Frosst Canada Ltd. (CA) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009070873-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD. (CA) | 2009-06-11 | — | — | 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 (1 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-20100298347-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | GPR119, GPR52, GPR35 | NR1H4 64/4885ALDH1A1 2522/4885KDM4E 4801/4885 |
“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.