Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11723690 | 0.85 | TSHR (0.54) | CYP3A4TP53ALDH1A1TSHRCA1 | |
| SCHEMBL11604336 | 0.83 | CYP3A4 (0.46) | CYP3A4TP53ALDH1A1TSHRCA1 | |
| SCHEMBL3547476 | 0.81 | ALDH1A1 (0.55) | CYP3A4TP53ALDH1A1TSHRCA1 | |
| SCHEMBL31620700 | 0.80 | CA1 (0.54) | CYP3A4TP53ALDH1A1TSHRCA1 | |
| SCHEMBL3113873 | 0.80 | CA1 (0.54) | CYP3A4TP53ALDH1A1TSHRCA1 | |
| SCHEMBL27418094 | 0.80 | CYP3A4 (0.50) | CYP3A4TP53ALDH1A1TSHRCA1 | |
| Hydrochloric Acid SCHEMBL4976619 | 0.79 | ALDH1A1 (0.53) | CYP3A4TP53ALDH1A1TSHRCA1 | |
| SCHEMBL11672476 | 0.79 | CA2 (0.76) | CYP3A4ALDH1A1CA1CA2CA9 | |
| Sulfur Dioxide SCHEMBL27418093 | 0.78 | CYP3A4 (0.53) | CYP3A4TP53ALDH1A1TSHRCA1 | |
| SCHEMBL11309929 | 0.78 | CYP3A4 (0.53) | CYP3A4TP53ALDH1A1CA1CA2 |
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-4754024-A | Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups | CIBA-GEIGY CORPORATION | 1988-06-28 | — | — | US | disclosed |
| US-4042578-A | POLYESTERS | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1977-08-16 | — | — | US | disclosed |