Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLCG1 | P19174 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | MMP2 | P08253 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 4/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 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 | |
|---|---|---|---|---|
| SCHEMBL10571237 | 0.84 | GAA (0.54) | CA2MMP2GAACYP2C19CA1 | |
| SCHEMBL9775738 | 0.82 | ALDH1A1 (0.52) | GAACYP2C19KMT2AALDH1A1 | |
| SCHEMBL10569043 | 0.82 | ALDH1A1 (0.52) | GAACYP2C19KMT2AALDH1A1 | |
| SCHEMBL11287878 | 0.82 | GAA (0.48) | CA2MMP2GAACYP2C19CA1 | |
| SCHEMBL10571563 | 0.81 | TDP1 (0.56) | GAACYP2C19CYP1A2TDP1POLB | |
| SCHEMBL10361091 | 0.81 | TDP1 (0.56) | GAACYP2C19CYP1A2TDP1POLB | |
| SCHEMBL10569206 | 0.79 | CA2 (0.46) | CA2GAACYP2C19CYP1A2TDP1 | |
| SCHEMBL10572546 | 0.78 | HSD11B1 (0.56) | CA2MMP2GAACYP2C19CA1 | |
| SCHEMBL10567821 | 0.78 | MMP13 (0.56) | CA2MMP2GAACA1MMP1 | |
| SCHEMBL11472031 | 0.78 | CA2 (0.46) | CA2GAACYP2C19CA1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4810706-A | ANTIHISTAMINES | RECHERCHE SYNTEX (FR) | 1989-03-07 | — | — | US | disclosed |
| EP-0227077-A1 | Piperazine derivatives of theophylline and theobromine | LABORATOIRES SYNTEX S.A. (FR) | 1987-07-01 | — | — | EP | disclosed |