Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9392813 | 0.76 | P2RY6 (0.41) | ALDH1A1TSHRCA12CA9SMN1; SMN2 | |
| SCHEMBL11390038 | 0.73 | HPGD (0.64) | ALDH1A1HPGDGAATSHRMEN1 | |
| SCHEMBL4810294 | 0.71 | CRHBP (0.61) | ALDH1A1LMNATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL14798532 | 0.70 | SMN1; SMN2 (0.63) | ALDH1A1LMNAGAATSHRMEN1 | |
| Methane SCHEMBL3489699 | 0.70 | ALDH1A1 (0.41) | ALDH1A1TSHRMEN1KMT2ARAB9A | |
| SCHEMBL31079746 | 0.69 | CYP19A1 (0.45) | ALDH1A1LMNAHPGD | |
| SCHEMBL636947 | 0.68 | DRD5 (0.31) | CYP3A4 | |
| SCHEMBL12491462 | 0.68 | SMN1; SMN2 (0.50) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL26087008 | 0.67 | ALDH1A1 (0.56) | ALDH1A1HPGDTSHRMEN1KMT2A | |
| SCHEMBL29003684 | 0.66 | TSHR (0.49) | ALDH1A1LMNAGAATSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3898613-A1 | ANTICANCER COMPOUNDS | Pharma Mar S.A. (ES) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020127194-A1 | ANTICANCER COMPOUNDS | PHARMA MAR, S.A. (ES) | 2020-06-25 | — | — | WO | disclosed |
| WO-2010149688-A2 | ANTITUMORAL COMPOUNDS | PHARMA MAR, S.A. (ES) | 2010-12-29 | — | — | WO | disclosed |