Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11720987 | 0.79 | PARK7 (0.37) | KDM4EHTR7CYP1A2MAPK1RAB9A | |
| SCHEMBL11715464 | 0.77 | PDK2 (0.36) | ALDH1A1TSHRSIGMAR1 | |
| SCHEMBL11715541 | 0.76 | MEN1 (0.39) | KDM4EALDH1A1HTR7HTR1AADRA2A | |
| SCHEMBL11719254 | 0.76 | PGR (0.38) | HTR7 | |
| SCHEMBL11721089 | 0.76 | GABRA1 (0.33) | SIGMAR1 | |
| SCHEMBL11714685 | 0.76 | MEN1 (0.36) | ALDH1A1TP53SIGMAR1 | |
| SCHEMBL11715899 | 0.71 | PGR (0.31) | KDM1ASIGMAR1 | |
| SCHEMBL11718223 | 0.70 | MAPT (0.46) | ALDH1A1CYP1A2CYP2D6TSHR | |
| SCHEMBL11717928 | 0.69 | ACHE (0.34) | NPC1RAB9A | |
| SCHEMBL11714996 | 0.69 | HTR2A (0.33) | KDM4ECYP1A2CYP2D6MAPK1 |
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-4064139-A | TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, ANTI-PARKINSON'S DISEASE | MERCK & CO., INC. (US) | 1977-12-20 | — | — | US | claimed |
| US-4064139-A | TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, ANTI-PARKINSON'S DISEASE | MERCK & CO., INC. (US) | 1977-12-20 | — | — | US | disclosed |