Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7087946 | 0.84 | CA1 (0.40) | CA1CA2CYP2D6TSHRHTR6 | |
| SCHEMBL14780378 | 0.84 | ENPP3 (0.48) | CA1CA2CYP2D6USP2TDP1 | |
| SCHEMBL8370244 | 0.82 | CYP2D6 (0.61) | CA1CA2CYP2D6TSHRLMNA | |
| SCHEMBL3443817 | 0.82 | MAPK1 (0.51) | CA1CA2CYP2D6CA9CA12 | |
| SCHEMBL8367865 | 0.82 | CYP2D6 (0.61) | CA1CA2CYP2D6TSHRLMNA | |
| SCHEMBL23192021 | 0.82 | CYP2D6 (0.61) | CA1CA2CYP2D6TSHRLMNA | |
| SCHEMBL9060935 | 0.82 | CYP2D6 (0.61) | CA1CA2CYP2D6TSHRLMNA | |
| SCHEMBL22621292 | 0.82 | CYP2D6 (0.61) | CA1CA2CYP2D6TSHRLMNA | |
| SCHEMBL24250706 | 0.82 | CYP2D6 (0.61) | CA1CA2CYP2D6TSHRLMNA | |
| SCHEMBL6859221 | 0.82 | CYP2D6 (0.47) | CA1CA2CYP2D6LMNACA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3508478-B1 | SALT DERIVATIVE OF TETRAHYDROISOQUINOLINE AND CRYSTALLINE THEREOF AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | CHINA STATE INST PHARM IND (CN) | 2022-12-21 | — | — | EP | disclosed |
| EP-3508478-A1 | SALT DERIVATIVE OF TETRAHYDROISOQUINOLINE AND CRYSTALLINE THEREOF AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | China State Institute of Pharmaceutical Industry (CN) | 2019-07-10 | — | — | EP | disclosed |
| CN-101516874-A | Pyrrole derivatives for the treatment of cytokine mediated diseases | NOVARTIS AG (CH) | 2009-08-26 | — | — | CN | disclosed |