Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | STK17B | O94768 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL92288 | 1.00 | ESR1 (0.45) | ESR1RETKDRCYP19A1MAOB | |
| SCHEMBL8702376 | 1.00 | ESR1 (0.45) | ESR1RETKDRCYP19A1MAOB | |
| SCHEMBL27890291 | 0.81 | RET (0.41) | RETKDRCYP19A1MAOBADORA3 | |
| SCHEMBL87208 | 0.81 | RET (0.41) | ESR1RETKDRCYP19A1MAOB | |
| SCHEMBL31015940 | 0.81 | RET (0.41) | ESR1RETKDRCYP19A1MAOB | |
| SCHEMBL67624 | 0.81 | RET (0.41) | RETKDRCYP19A1MAOBADORA3 | |
| SCHEMBL5579742 | 0.79 | ESR1 (0.56) | ESR1RETKDRCYP19A1MAOB | |
| SCHEMBL11043870 | 0.79 | ESR1 (0.56) | ESR1RETKDRCYP19A1MAOB | |
| SCHEMBL69430 | 0.79 | PARP1 (0.48) | RETKDRCYP19A1MAOBADORA3 | |
| SCHEMBL15188492 | 0.78 | MAOB (0.39) | RETKDRCYP19A1MAOBADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994014789-A1 | COUMARIN DERIVATIVES AS RETROVIRAL INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-07-07 | — | — | WO | disclosed |