Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.52 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.52 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.52 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11846358 | 0.90 | TSHR (0.53) | TSHRADORA3MAPTRECQLGABRA1 | |
| SCHEMBL11833241 | 0.89 | TSHR (0.65) | TSHRADORA3MAPTRECQLGABRA1 | |
| SCHEMBL11829807 | 0.86 | ADORA3 (0.54) | TSHRADORA3MAPTRECQLGABRA1 | |
| Hydrochloric Acid SCHEMBL11842893 | 0.82 | TSHR (0.52) | TSHRADORA3MAPTRECQLGABRA1 | |
| SCHEMBL11841727 | 0.79 | TSHR (0.52) | TSHRADORA3MAPTRECQLGABRA1 | |
| SCHEMBL11266410 | 0.78 | TSHR (0.63) | TSHRADORA3MAPTRECQLGABRA1 | |
| SCHEMBL11267142 | 0.76 | TSHR (0.51) | TSHRADORA3MAPTRECQLGABRA1 | |
| SCHEMBL11838158 | 0.76 | ADORA3 (0.49) | TSHRADORA3MAPTRECQLGABRA1 | |
| SCHEMBL11838289 | 0.76 | TSHR (0.42) | TSHRADORA3MAPTRECQLGABRA1 | |
| SCHEMBL11839496 | 0.76 | TSHR (0.49) | TSHRADORA3MAPTRECQLGABRA1 |
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-3966931-A | TRANQUILIZERS, ANTICONVULSANTS, HYPNOSIS | RHONE-POULENC S.A. (FR) | 1976-06-29 | — | — | US | disclosed |
| US-3948917-A | TRANQUILIZERS, ANTICONVULSANTS, DECONTRACTURANTS, HYPNOSIS | RHONE-POULENC S.A. (FR) | 1976-04-06 | — | — | US | disclosed |