Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | EP300 | Q09472 | 3/20 | 0.36 |
| ▸ | KAT8 | Q9H7Z6 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL201893 | 0.65 | ALDH1A1 (0.73) | CYP3A4TDP1ALDH1A1HPGDTSHR | |
| Hydrochloric Acid SCHEMBL7191297 | 0.62 | CYP3A4 (0.69) | CYP3A4TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL31057998 | 0.62 | ALDH1A1 (0.40) | CYP3A4TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL1864447 | 0.62 | ALDH1A1 (0.40) | CYP3A4TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL23637789 | 0.60 | ALDH1A1 (0.40) | CYP3A4TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL20298586 | 0.60 | ALDH1A1 (0.45) | TDP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL21854609 | 0.60 | ALDH1A1 (0.87) | CYP3A4TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL866016 | 0.58 | KEAP1 (0.42) | CYP3A4TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL867279 | 0.58 | KEAP1 (0.42) | CYP3A4TDP1ALDH1A1HPGDTSHR | |
| SCHEMBL476877 | 0.58 | — | — |
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-0614915-B1 | Polymer scale preventive agent | SHINETSU CHEMICAL CO (JP) | 1998-06-24 | — | — | EP | disclosed |
| US-5420214-A | Process to prevent scale adhesion using condensation product of a diamino heterocyclic and a quinone | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0614915-A1 | Polymer scale preventive agent | Shin-Etsu Chemical Co., Ltd. (JP) | 1994-09-14 | — | — | EP | disclosed |