Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 8/20 | 0.44 |
| ▸ | CA2 | P00918 | 8/20 | 0.44 |
| ▸ | CA12 | O43570 | 6/20 | 0.43 |
| ▸ | CA9 | Q16790 | 6/20 | 0.43 |
| ▸ | CA4 | P22748 | 3/20 | 0.43 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.42 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7371363 | 0.84 | VCAM1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19VCAM1 | |
| SCHEMBL7374445 | 0.84 | KIF18A (0.44) | ALDH1A1VCAM1CA1CA2KIF18A | |
| SCHEMBL29135013 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19VCAM1 | |
| SCHEMBL11708966 | 0.80 | VCAM1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19VCAM1 | |
| SCHEMBL11708971 | 0.80 | VCAM1 (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C19VCAM1 | |
| SCHEMBL31108456 | 0.79 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP2D6CYP2C19VCAM1 | |
| SCHEMBL1172377 | 0.79 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19VCAM1 | |
| SCHEMBL573259 | 0.79 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP2D6CYP2C19VCAM1 | |
| SCHEMBL2129919 | 0.79 | TSHR (0.56) | ALDH1A1VCAM1CA1CA2CA12 | |
| SCHEMBL27334707 | 0.79 | KIF18A (0.62) | ALDH1A1VCAM1CA1CA2CA12 |
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-1999026932-A1 | BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS | AXYS PHARMACEUTICALS, INC. (US) | 1999-06-03 | — | — | WO | disclosed |