Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | LTA4H | P09960 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21694302 | 0.86 | CA4 (0.59) | CA4LTA4HCA1CA2CA7 | |
| Bromide SCHEMBL29266596 | 0.84 | CA4 (0.56) | CA4LTA4HCA1CA2CA7 | |
| SCHEMBL6470447 | 0.82 | CA4 (0.54) | CA4LTA4HCA1CA2CA7 | |
| SCHEMBL8780771 | 0.81 | ACHE (0.71) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6816521 | 0.80 | CA4 (0.52) | CA4LTA4HCA1CA2CA7 | |
| SCHEMBL16771210 | 0.80 | CA4 (0.52) | CA4LTA4HCA1CA2CA7 | |
| Anisole SCHEMBL30601749 | 0.76 | — | — | |
| Anisole SCHEMBL28813915 | 0.76 | CA4 (1.00) | CA4LTA4HCA1CA2CA7 | |
| Anisole SCHEMBL20328417 | 0.76 | — | — | |
| Anisole SCHEMBL8472521 | 0.76 | CA4 (1.00) | CA4LTA4HCA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023137133-A2 | PROCESS FOR THE SELECTIVE CATALYTIC HYDROGENATION OF DIENONES | BASF SE (DE) | 2023-07-20 | — | — | WO | disclosed |