Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CDC25A | P30304 | 2/20 | 0.39 |
| ▸ | CDC25B | P30305 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAP2K7 | O14733 | 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 | |
|---|---|---|---|---|
| SCHEMBL2650156 | 0.78 | ESR1 (0.54) | ESR1SLC6A2SLC6A4SLC6A3ACP3 | |
| SCHEMBL7193101 | 0.77 | ESR1 (0.52) | ESR1SLC6A2SLC6A4SLC6A3ACP3 | |
| SCHEMBL6204701 | 0.77 | GABRA1 (0.43) | SLC6A2TSHRACHECYP3A4LMNA | |
| SCHEMBL6205004 | 0.77 | CYP2C19 (0.44) | ESR1CDC25ACDC25BALDH1A1CYP2D6 | |
| SCHEMBL6203755 | 0.77 | CA1 (0.52) | TSHRACHEALDH1A1TDP1KDM4E | |
| SCHEMBL3206497 | 0.76 | ESR1 (0.56) | ESR1SLC6A2SLC6A4SLC6A3ACP3 | |
| SCHEMBL6204869 | 0.76 | MEN1 (0.41) | ACHEALDH1A1TDP1CYP3A4CYP2C9 | |
| SCHEMBL6204061 | 0.76 | TSHR (0.41) | SLC6A2SLC6A4SLC6A3ACP3TSHR | |
| SCHEMBL16054236 | 0.76 | TSHR (0.41) | SLC6A2SLC6A4SLC6A3ACP3TSHR | |
| SCHEMBL16054392 | 0.76 | CYP2C9 (0.32) | ESR1SLC6A2SLC6A4SLC6A3ACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-1668601-A | N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2005-09-14 | — | — | CN | disclosed |
| EP-1506175-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097609-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2003-11-27 | — | — | WO | disclosed |