Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 10/20 | 0.47 |
| ▸ | MAOA | P21397 | 9/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL6772789 | 0.86 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12419696 | 0.77 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1129039 | 0.74 | MCL1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31408181 | 0.74 | MCL1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5679038 | 0.73 | CA1 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12419798 | 0.72 | RHEB (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18702745 | 0.72 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9456979 | 0.71 | NPC1 (0.80) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2804046 | 0.71 | L3MBTL1 (0.45) | CA12CA1CA2CA9 | |
| SCHEMBL20361216 | 0.70 | NPC1 (0.67) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6673824-B1 | HYPOTENSIVE AGENTS | BRISTOL-MYERS SQUIBB CO. | 2004-01-06 | — | — | US | disclosed |
| US-6107320-A | Phenyl sulfonamide endothelin antagonists | BRISTOL-MYERS SQUIBB CO. (US) | 2000-08-22 | — | — | US | disclosed |
| US-5514696-A | Phenyl sulfonamide endothelin antagonists | BRISTOL-MYERS SQUIBB CO. (US) | 1996-05-07 | — | — | US | disclosed |