Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL28554357 | 0.84 | ALDH1A1 (0.49) | ALDH1A1ABCB1KDM4EABCG2CA12 | |
| SCHEMBL6206376 | 0.84 | IDO1 (0.48) | ALDH1A1CA12CA1CA2CA14 | |
| SCHEMBL11099556 | 0.83 | ALDH1A1 (0.45) | ALDH1A1ABCB1KDM4EABCG2CA12 | |
| SCHEMBL28553709 | 0.81 | AGTR1 (0.50) | ALDH1A1ABCB1KDM4EABCG2CA12 | |
| SCHEMBL729393 | 0.81 | KMT2A (0.55) | KMT2A | |
| SCHEMBL5018903 | 0.80 | GABRA1 (0.48) | ALDH1A1ABCB1KDM4EABCG2CA12 | |
| Hydrochloric Acid SCHEMBL23524440 | 0.79 | KMT2A (0.57) | KMT2A | |
| SCHEMBL6205366 | 0.79 | CA12 (0.47) | ALDH1A1ABCB1KDM4EABCG2CA12 | |
| SCHEMBL9802590 | 0.79 | ABCB1 (0.47) | ALDH1A1ABCB1ABCG2CRHBPCRHR2 | |
| SCHEMBL490857 | 0.78 | ALDH1A1 (0.53) | ALDH1A1ABCB1KDM4EABCG2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |