Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.32 |
| ▸ | RAB9A | P51151 | 6/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | DUT | P33316 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7017479 | 0.80 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL5214411 | 0.77 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL7021216 | 0.75 | DDAH1 (0.53) | SMN1; SMN2TP53TSHRALDH1A1 | |
| SCHEMBL5201596 | 0.74 | MGAM (0.43) | NPC1RAB9AALDH1A1 | |
| SCHEMBL7024978 | 0.72 | DDAH1 (0.39) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL908058 | 0.71 | DDAH1 (0.33) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL7017120 | 0.71 | CACNA1H (0.36) | NPC1RAB9A | |
| SCHEMBL7019566 | 0.71 | TDP1 (0.40) | NPC1RAB9A | |
| SCHEMBL7019229 | 0.71 | BCHE (0.38) | TSHRALDH1A1 | |
| SCHEMBL7833147 | 0.69 | NPC1 (0.35) | NPC1RAB9ASMN1; SMN2TP53TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6495542-B1 | SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-12-17 | — | — | US | disclosed |