Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22556586 | 0.88 | CDC25B (0.56) | TSHRTDP1LMNACYP1A2CYP2C19 | |
| Ufenamate SCHEMBL36095 | 0.87 | CYP1A2 (0.72) | TSHRL3MBTL1TDP1LMNACYP1A2 | |
| Ufenamate SCHEMBL29376700 | 0.87 | CYP1A2 (0.72) | TSHRL3MBTL1TDP1LMNACYP1A2 | |
| SCHEMBL10631533 | 0.82 | LMNA (0.78) | LMNACYP1A2CYP2C19CYP2C9SMN1; SMN2 | |
| SCHEMBL21765032 | 0.82 | MAPT (0.69) | TSHRLMNACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL10812343 | 0.81 | TSHR (0.53) | TSHRL3MBTL1TDP1LMNACYP1A2 | |
| SCHEMBL11689669 | 0.81 | ALDH1A1 (0.68) | TSHRL3MBTL1TDP1LMNACYP1A2 | |
| SCHEMBL11690626 | 0.81 | ALDH1A1 (0.60) | TSHRL3MBTL1TDP1LMNACYP1A2 | |
| SCHEMBL6569817 | 0.78 | MAPT (0.67) | TSHRL3MBTL1TDP1LMNACYP1A2 | |
| SCHEMBL25279533 | 0.76 | AKR1C3 (0.60) | SMN1; SMN2MAPTSIRT2TAS2R14 |
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-110330400-A | The method for hydrogenating synthesizing cis trifluoromethyl cyclohexane derivant and heterocyclic compound | 四川大学 | 2019-10-15 | — | — | CN | disclosed |