Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL844893 | 0.98 | CYP3A4 (0.37) | CYP3A4TDP1ALDH1A1TP53TAAR1 | |
| Hydrochloric Acid SCHEMBL7556367 | 0.96 | CYP3A4 (0.36) | CYP3A4TDP1ALDH1A1TP53TAAR1 | |
| Hydrochloric Acid SCHEMBL28449243 | 0.95 | CYP3A4 (0.34) | CYP3A4TDP1ALDH1A1TP53TAAR1 | |
| Hydrochloric Acid SCHEMBL18986246 | 0.95 | CYP3A4 (0.34) | CYP3A4TDP1ALDH1A1TP53TAAR1 | |
| 1,4-Dichlorobenzene SCHEMBL3910732 | 0.91 | MAOB (0.36) | CYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL5846158 | 0.81 | ALDH1A1 (0.31) | ALDH1A1 | |
| Acetanilide SCHEMBL28526040 | 0.77 | NAPRT (0.45) | ALDH1A1TAAR1HSD17B10 | |
| SCHEMBL41543 | 0.77 | CYP3A4 (0.39) | CYP3A4TDP1ALDH1A1TP53TAAR1 | |
| Hydrochloric Acid SCHEMBL3286109 | 0.76 | CYP3A4 (0.37) | CYP3A4TDP1ALDH1A1TP53TAAR1 | |
| SCHEMBL2697748 | 0.76 | CYP3A4 (0.37) | CYP3A4TDP1ALDH1A1TP53TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100523101-C | pigment composition for oil-based lithographic printing inks | CIBA SC HOLDING AG (CH) | 2009-08-05 | — | — | CN | disclosed |
| CN-1685023-A | Pigment composition for oil-based lithographic printing inks | CIBA SC HOLDING AG (CH) | 2005-10-19 | — | — | CN | disclosed |