Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19357885 | 0.81 | CA1 (0.49) | ALDH1A1CYP3A4TDP1ALOX15CA1 | |
| SCHEMBL20472194 | 0.81 | CA1 (0.67) | ALDH1A1CYP3A4TDP1ALOX15CA1 | |
| SCHEMBL29563055 | 0.81 | CA1 (0.67) | ALDH1A1CYP3A4TDP1ALOX15CA1 | |
| SCHEMBL15727754 | 0.79 | CA1 (0.47) | ALDH1A1CYP3A4TDP1ALOX15CA1 | |
| SCHEMBL28057353 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1CA1CA2 | |
| SCHEMBL8034454 | 0.79 | TDP1 (0.53) | ALDH1A1CYP3A4TDP1ALOX15CA1 | |
| SCHEMBL10660036 | 0.79 | LMNA (0.52) | ALDH1A1CYP3A4TDP1ALOX15CA1 | |
| SCHEMBL10659985 | 0.77 | HTT (0.59) | ALDH1A1CYP3A4TDP1ALOX15CA1 | |
| SCHEMBL10661047 | 0.77 | HTT (0.59) | ALDH1A1CYP3A4TDP1ALOX15CA1 | |
| SCHEMBL8327908 | 0.77 | GPR35 (0.65) | ALDH1A1CYP3A4TDP1ALOX15CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4745116-A | INHIBITORS OF SERINE PROTEASE | SYNTEX (U.S.A.) INC. (US) | 1988-05-17 | — | — | US | disclosed |
| US-4665070-A | SERINE PROTEINASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1987-05-12 | — | — | US | disclosed |
| EP-0206323-A1 | 2-Oxy-4H-3,1-benzoxazin-4-one derivatives and related compounds | SYNTEX (U.S.A.) INC. (US) | 1986-12-30 | — | — | EP | disclosed |