Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8490064 | 1.00 | VCAM1 (0.41) | VCAM1ALDH1A1TDP1TSHRS1PR4 | |
| SCHEMBL27088355 | 0.81 | VCAM1 (0.41) | VCAM1TSHR | |
| SCHEMBL29979560 | 0.81 | VCAM1 (0.41) | VCAM1TSHR | |
| SCHEMBL852832 | 0.78 | TSHR (0.38) | TSHR | |
| SCHEMBL30956694 | 0.77 | ALDH1A1 (0.46) | VCAM1ALDH1A1 | |
| SCHEMBL529557 | 0.77 | VCAM1 (0.39) | VCAM1ALDH1A1TSHR | |
| SCHEMBL27198413 | 0.75 | VCAM1 (0.42) | VCAM1ALDH1A1TDP1TSHR | |
| SCHEMBL1477526 | 0.75 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHR | |
| SCHEMBL3771130 | 0.74 | VCAM1 (0.74) | VCAM1ALDH1A1TDP1TSHR | |
| SCHEMBL16956247 | 0.74 | VCAM1 (0.47) | VCAM1ALDH1A1TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-4320109-A1 | HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER | Tolremo Therapeutics AG (CH) | 2024-02-14 | — | — | EP | disclosed |
| WO-2022214606-A1 | HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER | TOLREMO THERAPEUTICS AG (CH) | 2022-10-13 | — | — | WO | disclosed |