Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28161438 | 0.80 | ALDH1A1 (0.56) | TSHROPRK1MAPTALDH1A1NPC1 | |
| SCHEMBL4312563 | 0.75 | ALDH1A1 (0.49) | TSHRMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL7531508 | 0.74 | IDO1 (0.49) | MAPTALDH1A1IDO1TAAR1 | |
| SCHEMBL29738635 | 0.73 | ALDH1A1 (0.47) | TSHRMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL23927282 | 0.73 | IDO1 (0.59) | MAPTALDH1A1IDO1TAAR1 | |
| SCHEMBL13778146 | 0.71 | TSHR (0.57) | TSHROPRK1MAPTALDH1A1NPC1 | |
| SCHEMBL13319587 | 0.70 | MAPT (0.53) | TSHRMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL28774305 | 0.69 | ALDH1A1 (0.44) | TSHRMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL5167680 | 0.68 | TAAR1 (0.53) | MAPTIDO1TAAR1 | |
| SCHEMBL5167569 | 0.68 | IDO1 (0.46) | MAPTALDH1A1IDO1TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106957290-A | A kind of fragrant Carbox amide and its application in anti-influenza A virus medicament is prepared | 武汉大学 | 2017-07-18 | — | — | CN | disclosed |