Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL23120599 | 0.81 | CRBN (0.64) | ALDH1A1HPGDNSD2DDB1CRBN | |
| SCHEMBL2518608 | 0.75 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL15273560 | 0.75 | DDB1 (0.65) | ALDH1A1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL3551042 | 0.74 | ALOX5 (0.59) | ALDH1A1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL9564052 | 0.74 | L3MBTL1 (0.62) | ALDH1A1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL9407810 | 0.74 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL17870929 | 0.74 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL4411364 | 0.73 | ALOX5 (0.55) | ALDH1A1CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL3936113 | 0.73 | NSD2 (0.74) | ALDH1A1GAANSD2LMNASMN1; SMN2 | |
| SCHEMBL30516650 | 0.72 | ALOX5 (0.55) | ALDH1A1CYP3A4CYP2C9CYP1A2CYP2D6 |
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-3224245-A1 | NECROSIS INHIBITORS | National Institute Of Biological Sciences, Beijing (CN) | 2017-10-04 | — | — | EP | disclosed |
| WO-2016101887-A1 | NECROSIS INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2016-06-30 | — | — | WO | disclosed |