Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CETP | P11597 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1547876 | 0.85 | CA1 (0.50) | TP53ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL6468612 | 0.82 | TP53 (0.59) | TP53ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL11358137 | 0.82 | TP53 (0.59) | TP53ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL27851131 | 0.80 | TP53 (0.57) | TP53ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL5220560 | 0.80 | LMNA (0.57) | TP53ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL2479613 | 0.79 | ALDH1A1 (0.52) | TP53ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL544792 | 0.78 | TP53 (0.55) | TP53ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL1400620 | 0.78 | TP53 (0.55) | TP53ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL31613792 | 0.78 | TP53 (0.55) | TP53ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL5778332 | 0.78 | HSD17B10 (0.45) | TP53ALDH1A1KDM4ELMNACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1880994-A1 | CRYSTAL OF INDOLE DERIVATIVE HAVING PIPERIDINE RING AND PROCESS FOR PRODUCTION THEREOF | Eisai R&D Management Co., Ltd. (JP) | 2008-01-23 | — | — | EP | disclosed |