Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8098377 | 0.92 | EGFR (0.49) | EGFRERBB2TP53TAAR1CYP19A1 | |
| SCHEMBL2792993 | 0.91 | EGFR (0.48) | EGFRERBB2TP53TAAR1CYP19A1 | |
| SCHEMBL18289526 | 0.90 | CYP19A1 (0.50) | CYP19A1CA12CA1CA9BCHE | |
| SCHEMBL8206287 | 0.83 | LMNA (0.46) | TAAR1CYP19A1BCHEACHEALDH1A1 | |
| SCHEMBL7723991 | 0.83 | ALDH1A1 (0.46) | TP53TAAR1CYP19A1CA12CA1 | |
| SCHEMBL828951 | 0.82 | EGFR (0.47) | EGFRERBB2CA12CA1CA9 | |
| SCHEMBL3960748 | 0.82 | CHRM2 (0.49) | TAAR1MAOBCA1CA9BCHE | |
| SCHEMBL241683 | 0.82 | CA9 (0.54) | CA12CA1CA9BCHEACHE | |
| SCHEMBL18934283 | 0.81 | CYP19A1 (0.48) | CYP19A1CA12CA1CA9BCHE | |
| SCHEMBL17023751 | 0.81 | BCHE (0.43) | CYP19A1CA12CA1CA9BCHE |
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 |
|---|---|---|---|---|---|---|---|
| US-6063789-A | Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents | ASTRA PHARMACEUTICALS, LTD. (GB) | 2000-05-16 | — | — | US | disclosed |
| EP-0892784-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | Astra Pharmaceuticals Limited (GB) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997038977-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-10-23 | — | — | WO | disclosed |