Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 14/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11563049 | 0.81 | DHODH (0.50) | PARP1DHODH | |
| SCHEMBL11562006 | 0.81 | HTR6 (0.44) | ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL11563800 | 0.77 | BRD4 (0.43) | PARP1ALDH1A1RAB9ASMN1; SMN2TRPV1 | |
| SCHEMBL8952768 | 0.77 | DHODH (0.51) | PARP1DHODHHSP90AA1ESR2TDP1 | |
| SCHEMBL11561198 | 0.77 | HSP90AA1 (0.42) | PARP1DHODHHSP90AA1ESR2TDP1 | |
| SCHEMBL11564371 | 0.76 | PARP1 (0.51) | PARP1DHODHALDH1A1HPGDRAB9A | |
| SCHEMBL13544493 | 0.76 | PARP1 (0.45) | PARP1DHODHHSP90AA1ESR2TDP1 | |
| SCHEMBL9324932 | 0.70 | DHODH (0.47) | PARP1DHODHHSP90AA1ESR2TDP1 | |
| SCHEMBL13594653 | 0.68 | ADRB2 (0.52) | PARP1DHODHHSP90AA1ESR2TDP1 | |
| SCHEMBL13544691 | 0.67 | PARP1 (0.45) | PARP1DHODHHSP90AA1ESR2TDP1 |
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-4176184-A | CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS | BOEHRINGER INGELHEIM GMBH (DE) | 1979-11-27 | — | — | US | disclosed |