Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22238689 | 0.75 | CA12 (0.34) | CA12CA1CA2CA4CA9 | |
| SCHEMBL17986183 | 0.75 | NSD2 (0.45) | CA12CA1CA2CA4CA9 | |
| SCHEMBL11355337 | 0.64 | ALDH1A1 (0.44) | RAB9AALDH1A1TSHRTDP1SMN1; SMN2 | |
| SCHEMBL156310 | 0.63 | TSHR (0.48) | CA12CA1CA2CA4CA9 | |
| SCHEMBL27916932 | 0.62 | TSHR (0.46) | CA12CA1CA2CA4CA9 | |
| Ammonia Solution, Strong SCHEMBL11782377 | 0.62 | TSHR (0.46) | CA12CA1CA2CA4CA9 | |
| SCHEMBL4128246 | 0.62 | CA2 (0.50) | CA12CA1CA2CA4CA9 | |
| SCHEMBL17986146 | 0.62 | KMT2A (0.52) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28088001 | 0.61 | IDO1 (0.52) | CA12CA1CA2CA4CA9 | |
| SCHEMBL15928851 | 0.61 | CA12 (0.40) | CA12CA1CA2CA4CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3049386-B9 | COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES | UNIV KOELN (DE) | 2020-11-18 | — | — | EP | disclosed |