Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | CASP1 | P29466 | 2/20 | 0.61 |
| ▸ | RECQL | P46063 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29350699 | 1.00 | — | — | |
| SCHEMBL11789 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2477661 | 0.97 | — | — | |
| SCHEMBL22719995 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL7913171 | 0.97 | ACHE (0.67) | ACHECYP3A4CASP1RECQLALDH1A1 | |
| Methylamine SCHEMBL11826976 | 0.97 | ACHE (0.67) | ACHECYP3A4CASP1RECQLALDH1A1 | |
| Water SCHEMBL8601211 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL4376578 | 0.97 | ACHE (0.67) | ACHECYP3A4CASP1RECQLALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL2551919 | 0.97 | — | — | |
| SCHEMBL11219986 | 0.97 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4029707-A | VAPOR-PHASE REACTION OF AROMATIC AMINE WITH ALIPHATIC ALCOHOL | EASTMAN KODAK COMPANY (US) | 1977-06-14 | — | — | US | disclosed |