Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8189759 | 1.00 | CA1 (0.42) | CA1CA2CA4KMT2A | |
| SCHEMBL9681669 | 0.78 | CA1 (0.46) | CA1CA2CA4KMT2A | |
| SCHEMBL9681659 | 0.78 | CA1 (0.46) | CA1CA2CA4KMT2A | |
| SCHEMBL6980838 | 0.73 | CA1 (0.42) | CA1CA2CA4KMT2A | |
| SCHEMBL6975842 | 0.73 | CA1 (0.42) | CA1CA2CA4KMT2A | |
| SCHEMBL27558685 | 0.73 | — | — | |
| SCHEMBL27506614 | 0.71 | KMT2A (0.52) | CA1CA2CA4KMT2A | |
| SCHEMBL27501519 | 0.71 | KMT2A (0.52) | CA1CA2CA4KMT2A | |
| SCHEMBL7646066 | 0.71 | CA1 (0.39) | CA1CA2CA4KMT2A | |
| SCHEMBL2487746 | 0.70 | — | — |
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-0970036-A1 | ARYL- AND HETEROARYLCYCLOHEXENYL SUBSTITUTED ALKENES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | Allergan Sales, Inc. (US) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998039284-A1 | ARYL- AND HETEROARYLCYCLOHEXENYL SUBSTITUTED ALKENES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | ALLERGAN SALES, INC. (US) | 1998-09-11 | — | — | WO | disclosed |
| US-5760276-A | TREATING SKIN DISORDERS, REDUCING SIDE EFFECTS OF RETINOIDS | ALLERGAN (US) | 1998-06-02 | — | — | US | disclosed |