Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 13/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 12/20 | 0.54 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.52 |
| ▸ | CFTR | P13569 | 1/20 | 0.52 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | ERN1 | O75460 | 1/20 | 0.48 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | STAT1 | P42224 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29891239 | 1.00 | CYP11B1 (0.57) | CYP11B1CYP11B2S1PR1CFTRCYP17A1 | |
| SCHEMBL13056243 | 0.81 | S1PR1 (0.53) | CYP11B1CYP11B2S1PR1CFTRCYP19A1 | |
| SCHEMBL27676186 | 0.81 | S1PR1 (0.42) | CYP11B2S1PR1KDM4EALDH1A1RAB9A | |
| SCHEMBL13057058 | 0.80 | NPY5R (0.54) | CYP11B1CYP11B2S1PR1CFTRERN1 | |
| SCHEMBL12692422 | 0.80 | NPY5R (0.64) | CYP11B1CYP11B2S1PR1CFTRERN1 | |
| SCHEMBL14832293 | 0.77 | CYP11B1 (0.56) | CYP11B1CYP11B2S1PR1CFTRCYP17A1 | |
| SCHEMBL13056286 | 0.77 | CFTR (0.49) | S1PR1CFTRERN1NPY5RPDK2 | |
| SCHEMBL1927394 | 0.76 | GLA (0.58) | CYP11B1CYP11B2S1PR1CFTRCYP17A1 | |
| SCHEMBL28220566 | 0.76 | CYP3A4 (0.50) | S1PR1CFTRCYP19A1ERN1NPY5R | |
| SCHEMBL16446879 | 0.76 | CYP11B2 (0.60) | CYP11B1CYP11B2S1PR1CFTRCYP17A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115010575-B | Synthesis method of 2-trifluoromethyl naphthalene derivative | 温州大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-115010575-A | Synthesis method of 2-trifluoromethyl naphthalene derivative | 温州大学 | 2022-09-06 | — | — | CN | disclosed |