Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CA3 | P07451 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | PGR | P06401 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4449250 | 0.87 | ERAP1 (0.68) | ERAP1CA1CA2CA12LMNA | |
| Coumarin SCHEMBL2121277 | 0.80 | CA1 (0.65) | TDP1CA1CA2CA12LMNA | |
| SCHEMBL7912329 | 0.76 | HPGD (0.57) | ERAP1LMNAKDM4EALDH1A1KMT2A | |
| SCHEMBL7121658 | 0.76 | CA1 (0.56) | ERAP1CA1CA2CA9KDM4E | |
| SCHEMBL7358531 | 0.75 | CA12 (0.95) | ERAP1TDP1CA1CA2CA12 | |
| Coumarin SCHEMBL19183240 | 0.75 | CA12 (0.95) | ERAP1TDP1CA1CA2CA12 | |
| SCHEMBL19484976 | 0.75 | CYP1B1 (0.60) | ERAP1CA1CA2CA12CA9 | |
| Coumarin SCHEMBL28286390 | 0.74 | CA12 (0.77) | ERAP1TDP1CA1CA2CA12 | |
| Coumarin SCHEMBL29182492 | 0.74 | CA12 (0.91) | ERAP1TDP1CA1CA2CA12 | |
| Coumarin SCHEMBL25431834 | 0.74 | CA12 (0.91) | ERAP1TDP1CA1CA2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0592583-A1 | METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE | THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) | 1994-04-20 | — | — | EP | disclosed |
| WO-1993000896-A1 | METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE | THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) | 1993-01-21 | — | — | WO | disclosed |