Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ARG1 | P05089 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9795153 | 1.00 | TDP1 (0.52) | TDP1CYP2D6ARG1ALDH1A1CYP3A4 | |
| SCHEMBL1380295 | 0.92 | — | — | |
| SCHEMBL18235911 | 0.82 | TDP1 (0.50) | TDP1CYP2D6ARG1ALDH1A1CYP3A4 | |
| SCHEMBL10702291 | 0.82 | CYP2D6 (0.61) | TDP1CYP2D6ALDH1A1EPHX1CA12 | |
| SCHEMBL8601731 | 0.81 | PLG (0.57) | TDP1CYP2D6ARG1ALDH1A1EPHX1 | |
| SCHEMBL19151014 | 0.80 | TDP1 (0.47) | TDP1ALDH1A1CYP3A4EPHX1FAAH | |
| Bromide SCHEMBL9464503 | 0.80 | CYP2D6 (0.59) | TDP1CYP2D6ALDH1A1EPHX1CA12 | |
| SCHEMBL22180932 | 0.79 | CYP2D6 (0.69) | TDP1CYP2D6ALDH1A1PRSS1EPHX1 | |
| Hydrochloric Acid SCHEMBL8117093 | 0.79 | PLG (0.55) | TDP1CYP2D6ARG1ALDH1A1EPHX1 | |
| Trifluoroacetic Acid SCHEMBL1998431 | 0.79 | TDP1 (0.47) | TDP1CYP2D6ARG1ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |