Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 10/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7877353 | 0.93 | CA1 (0.39) | CA1CA2CA9APPLTA4H | |
| SCHEMBL8142070 | 0.86 | CA2 (0.32) | CA1CA2CA9CA12 | |
| SCHEMBL97751 | 0.74 | CA2 (0.43) | CA1CA2CA9APPRXRA | |
| SCHEMBL96667 | 0.74 | CA1 (0.58) | CA1CA2CA9LTA4HCES2 | |
| SCHEMBL6848307 | 0.74 | ALDH1A1 (0.50) | APP | |
| SCHEMBL96632 | 0.74 | MEN1 (0.43) | CA1CA2CA9LTA4HCES2 | |
| SCHEMBL95901 | 0.74 | ACHE (0.48) | CA1CA2CA9CES2CES1 | |
| SCHEMBL4867495 | 0.74 | MEN1 (0.50) | CA1CA2CA9APPLTA4H | |
| SCHEMBL95869 | 0.74 | SOS1 (0.39) | CA1CA2CA9APPCES2 | |
| SCHEMBL2661 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1081149-B1 | PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES | OTSUKA PHARMA CO LTD (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-6372749-B1 | PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2002-04-16 | — | — | US | disclosed |
| EP-1081149-A1 | PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-03-07 | — | — | EP | disclosed |