Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.43 |
| ▸ | WNT3A | P56704 | 4/20 | 0.43 |
| ▸ | AHR | P35869 | 3/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21441187 | 0.83 | CTNNB1 (0.47) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL28158934 | 0.79 | NPC1 (0.42) | CYP1A2MAPTRAB9ACYP17A1CYP11B1 | |
| SCHEMBL15979917 | 0.77 | CTNNB1 (0.74) | F2CYP17A1CYP11B1CYP11B2CTNNB1 | |
| SCHEMBL135603 | 0.74 | MAPT (0.52) | CYP1A2CYP3A4MAPTCYP2C19CYP11B1 | |
| SCHEMBL26037653 | 0.74 | CYP1A2 (0.64) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL25273757 | 0.73 | HSD17B10 (0.50) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL3163567 | 0.73 | NPC1 (0.53) | F2CYP1A2CYP3A4MAPTRAB9A | |
| SCHEMBL491764 | 0.72 | NAPRT (0.50) | CYP1A2CYP3A4MAPTCYP2C19CYP11B1 | |
| SCHEMBL21441386 | 0.72 | CTNNB1 (0.45) | F2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL16795698 | 0.71 | F2 (0.54) | F2CYP1A2CYP3A4MAPTCYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5861407-A | Tetrahydropyridine derivatives as dopamine receptor subtype ligands | MERCK SHARP & DOHME, LTD. (GB) | 1999-01-19 | — | — | US | disclosed |