Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 2/20 | 0.33 |
| ▸ | FNTB | P49356 | 2/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.31 |
| ▸ | ERG | P11308 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL8098386 | 1.00 | CYP11B1 (0.34) | CYP11B1CYP11B2HRH3FNTAFNTB | |
| SCHEMBL8444117 | 0.90 | GPR119 (0.42) | CYP11B1CYP11B2GPR119ACACB | |
| SCHEMBL8097497 | 0.90 | GPR119 (0.42) | CYP11B1CYP11B2GPR119ACACB | |
| SCHEMBL8098346 | 0.90 | HRH3 (0.33) | CYP11B1CYP11B2HRH3FNTAFNTB | |
| SCHEMBL8098343 | 0.90 | HRH3 (0.33) | CYP11B1CYP11B2HRH3FNTAFNTB | |
| SCHEMBL8097494 | 0.90 | GPR119 (0.42) | CYP11B1CYP11B2GPR119ACACB | |
| SCHEMBL8096857 | 0.90 | GPR119 (0.42) | CYP11B1CYP11B2GPR119ACACB | |
| SCHEMBL8097913 | 0.89 | L3MBTL1 (0.39) | HRH3FNTAFNTBCYP19A1L3MBTL1 | |
| SCHEMBL8097906 | 0.89 | L3MBTL1 (0.39) | HRH3FNTAFNTBCYP19A1L3MBTL1 | |
| SCHEMBL8097797 | 0.89 | CHRM4 (0.35) | CYP11B1CYP11B2HRH3FNTAFNTB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6127366-A | ANTICARCINOGENIC OR ANTITUMOR AGENTS | MERCK & CO., INC. (US) | 2000-10-03 | — | — | US | disclosed |
| US-5817678-A | IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC | MERCK & CO., INC. (US) | 1998-10-06 | — | — | US | disclosed |