Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.45 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30593273 | 1.00 | TAAR1 (0.51) | TAAR1KDM4EGABRA1GABRG2GABRB3 | |
| SCHEMBL25401959 | 0.90 | MAPT (0.50) | TAAR1KDM4EGABRA1GABRG2GABRB3 | |
| SCHEMBL30593263 | 0.90 | MAPT (0.50) | TAAR1KDM4EGABRA1GABRG2GABRB3 | |
| SCHEMBL30593265 | 0.89 | KDM4E (0.47) | TAAR1KDM4EGABRA1GABRG2GABRB3 | |
| SCHEMBL25406303 | 0.89 | KDM4E (0.47) | TAAR1KDM4EGABRA1GABRG2GABRB3 | |
| SCHEMBL25406123 | 0.87 | KDM4E (0.49) | TAAR1KDM4EGABRA1GABRG2GABRB3 | |
| SCHEMBL30593220 | 0.87 | KDM4E (0.49) | TAAR1KDM4EGABRA1GABRG2GABRB3 | |
| SCHEMBL25406151 | 0.87 | TRPV1 (0.55) | TAAR1KDM4EGABRA1GABRG2GABRB3 | |
| SCHEMBL25407518 | 0.85 | TAAR1 (0.65) | TAAR1KDM4EGABRA1GABRG2GABRB3 | |
| SCHEMBL30593250 | 0.85 | TAAR1 (0.65) | TAAR1KDM4EGABRA1GABRG2GABRB3 |
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-116789641-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2023-09-22 | — | — | CN | disclosed |
| WO-2023174383-A1 | DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-09-21 | — | — | WO | disclosed |