Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11680883 | 0.86 | MAPT (0.55) | MAPTLMNANPC1CYP1A2CYP2C9 | |
| SCHEMBL7240015 | 0.85 | CYP1B1 (0.52) | MAPTLMNANPC1MAOBALDH1A1 | |
| SCHEMBL28896121 | 0.85 | CYP1B1 (0.52) | MAPTLMNANPC1MAOBALDH1A1 | |
| SCHEMBL28459461 | 0.85 | ALDH1A1 (0.58) | MAPTLMNANPC1TP53ALDH1A1 | |
| SCHEMBL4007174 | 0.80 | AKR1C1 (0.63) | MAPTLMNACYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL11743667 | 0.80 | AKR1C1 (0.63) | MAPTLMNACYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL4007167 | 0.80 | AKR1C1 (0.63) | MAPTLMNACYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL4008388 | 0.79 | AKR1C1 (0.56) | MAPTLMNANPC1CYP1A2CYP2C9 | |
| SCHEMBL4008385 | 0.79 | AKR1C1 (0.56) | MAPTLMNANPC1CYP1A2CYP2C9 | |
| SCHEMBL7265045 | 0.78 | GLO1 (0.73) | MAPTLMNANPC1ALDH1A1RAB9A |
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-5378838-A | FOR USE IN HUMANS | MERCK & CO., INC. (US) | 1995-01-03 | — | — | US | disclosed |
| WO-1994015924-A1 | CHOLECYSTOKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-07-21 | — | — | WO | disclosed |