Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.55 |
| ▸ | CA2 | P00918 | 6/20 | 0.55 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.55 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28222504 | 0.85 | ALDH1A1 (0.62) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL19763136 | 0.84 | CA1 (0.53) | CA1CA2PARP10PARP1PARP2 | |
| Hydrochloric Acid SCHEMBL28222455 | 0.84 | ALDH1A1 (0.60) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL9369669 | 0.81 | CA1 (0.59) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL9040102 | 0.81 | CA1 (0.59) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL15520071 | 0.81 | CA1 (0.59) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL5217024 | 0.80 | CES2 (0.61) | CA1CA2PARP10PARP1PARP2 | |
| Hydrochloric Acid SCHEMBL6704589 | 0.79 | CA1 (0.57) | CA1CA2PARP10PARP1PARP2 | |
| Hydrochloric Acid SCHEMBL1309644 | 0.78 | CA1 (0.52) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL6653842 | 0.76 | CA1 (0.53) | CA1CA2PARP10PARP1PARP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4999365-A | Preventing damage which occurs to heart tissue when oxygen is reintroduced after a heart attack | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-03-12 | — | — | US | disclosed |
| EP-0284925-A2 | Use of imidazol-2-thiones for the preparation of a medicament for reducing myocardial stunning | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-10-05 | — | — | EP | disclosed |
| US-4405628-A | 4-Pyridylimidazolones and method of use | MERRELL DOW PHARMACEUTICALS INC. (US) | 1983-09-20 | — | — | US | disclosed |
| EP-0059948-A1 | Novel aroylimidazolones | MERRELL DOW PHARMACEUTICALS INC. (US) | 1982-09-15 | — | — | EP | disclosed |