Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | TP53 | P04637 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | CYP2E1 | P05181 | 10/20 | 0.56 |
| ▸ | CYP2C8 | P10632 | 10/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 10/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9304566 | 0.86 | ALDH1A1 (0.48) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL29439014 | 0.80 | KDM4E (0.61) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL4371528 | 0.80 | KDM4E (0.61) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL30174540 | 0.79 | NPC1 (0.63) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL29770426 | 0.79 | NPC1 (0.58) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL6627259 | 0.79 | NPC1 (0.58) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL916533 | 0.79 | NPC1 (0.58) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL1748047 | 0.79 | NPC1 (0.58) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL216242 | 0.79 | NPC1 (0.63) | NPC1TP53RAB9AALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL25169249 | 0.77 | NPC1 (0.61) | NPC1TP53RAB9AALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |