Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | CFD | P00746 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 6/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 4/20 | 0.40 |
| ▸ | MC3R | P41968 | 3/20 | 0.40 |
| ▸ | MC1R | Q01726 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8303542 | 1.00 | ABCB1 (0.46) | ABCB1P2RX7CFDMCL1HDAC8 | |
| SCHEMBL8300804 | 1.00 | ABCB1 (0.46) | ABCB1P2RX7CFDMCL1HDAC8 | |
| SCHEMBL3346899 | 0.83 | UCHL1 (0.42) | ABCB1MCL1ACHE | |
| SCHEMBL3346894 | 0.83 | UCHL1 (0.42) | ABCB1MCL1ACHE | |
| SCHEMBL3346893 | 0.83 | UCHL1 (0.42) | ABCB1MCL1ACHE | |
| SCHEMBL1273269 | 0.82 | HDAC8 (0.49) | ABCB1MCL1HDAC8ALDH1A1CYP3A4 | |
| SCHEMBL1272783 | 0.82 | HDAC8 (0.49) | ABCB1MCL1HDAC8ALDH1A1CYP3A4 | |
| SCHEMBL6945211 | 0.82 | ABCB1 (0.51) | ABCB1MCL1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6945215 | 0.82 | ABCB1 (0.51) | ABCB1MCL1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL13164549 | 0.82 | ABCB1 (0.52) | ABCB1MCL1HDAC8MC4RMC3R |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5972984-A | LOW MOLECULAR WEIGHT PEPTIDYL COMPOUNDS THAT DO NOT HAVE A THIOL MOIETY. | MERCK & CO., INC. (US) | 1999-10-26 | — | — | US | disclosed |
| EP-0833633-A4 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 1999-03-24 | — | — | EP | disclosed |
| US-5756528-A | ANTICARCINOGENIC AGENTS | MERCK & CO., INC. (US) | 1998-05-26 | — | — | US | disclosed |
| EP-0833633-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1998-04-08 | — | — | EP | disclosed |
| WO-1996039137-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1996-12-12 | — | — | WO | disclosed |