Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.65 |
| ▸ | TP53 | P04637 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | SCN4A | P35499 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | GMNN | O75496 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9722861 | 0.85 | CYP3A4 (0.65) | CYP3A4HSD17B10TP53ALDH1A1TSHR | |
| SCHEMBL17324159 | 0.82 | CYP3A4 (0.60) | CYP3A4HSD17B10TP53ALDH1A1TSHR | |
| SCHEMBL233589 | 0.79 | CYP3A4 (1.00) | CYP3A4HSD17B10TP53ALDH1A1TSHR | |
| SCHEMBL5160798 | 0.78 | NPC1 (0.62) | CYP3A4HSD17B10TP53ALDH1A1TSHR | |
| SCHEMBL22358 | 0.77 | CYP3A4 (1.00) | CYP3A4HSD17B10TP53ALDH1A1TSHR | |
| SCHEMBL29683488 | 0.77 | CYP3A4 (1.00) | CYP3A4HSD17B10TP53ALDH1A1TSHR | |
| SCHEMBL9722752 | 0.77 | CYP3A4 (0.78) | CYP3A4HSD17B10TP53ALDH1A1TSHR | |
| SCHEMBL5946843 | 0.77 | CYP3A4 (0.78) | CYP3A4HSD17B10TP53ALDH1A1TSHR | |
| SCHEMBL20568080 | 0.76 | RAB9A (0.84) | CYP3A4HSD17B10TP53ALDH1A1TSHR | |
| SCHEMBL27866435 | 0.76 | CYP3A4 (0.63) | CYP3A4HSD17B10TP53ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5120872-A | Textile dyeing | CIBA-GEIGY CORPORATION (US) | 1992-06-09 | — | — | US | disclosed |
| US-4994563-A | Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness | CIBA-GEIGY CORPORATION (US) | 1991-02-19 | — | — | US | disclosed |
| EP-0349486-A2 | Azo dyes, their preparation and their use | CIBA-GEIGY AG (CH) | 1990-01-03 | — | — | EP | disclosed |