Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.44 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.44 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8664809 | 0.81 | ALDH1A1 (0.51) | CYP3A4ALDH1A1TSHRTDP1ALOX15 | |
| SCHEMBL28975371 | 0.77 | ALDH1A1 (0.47) | CYP3A4ALDH1A1TSHRTDP1ALOX15 | |
| SCHEMBL28419738 | 0.73 | ALDH1A1 (0.38) | CYP3A4ALDH1A1TSHRTDP1ALOX15 | |
| SCHEMBL1531096 | 0.73 | TDP1 (0.48) | CYP3A4ALDH1A1TSHRTDP1ALOX15 | |
| SCHEMBL9222365 | 0.73 | ALDH1A1 (0.46) | CYP3A4ALDH1A1TSHRTDP1ALOX15 | |
| SCHEMBL317776 | 0.73 | CYP3A4 (0.42) | CYP3A4ALDH1A1TSHRTDP1ALOX15 | |
| SCHEMBL7744893 | 0.70 | TSHR (0.46) | CYP3A4ALDH1A1TSHRTDP1ALOX15 | |
| SCHEMBL145308 | 0.70 | ALDH1A1 (0.35) | CYP3A4ALDH1A1TSHRTDP1ALOX15 | |
| SCHEMBL4506814 | 0.70 | TDP1 (0.55) | CYP3A4ALDH1A1TSHRTDP1ALOX15 | |
| SCHEMBL3284543 | 0.70 | KIF11 (0.35) | KIF11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1112073-A4 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2002-10-25 | — | — | EP | disclosed |
| EP-1112073-A1 | CALCILYTIC COMPOUNDS | SmithKline Beecham Corporation (US) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000009132-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-24 | — | — | WO | disclosed |