Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL14601229 | 0.81 | CYP3A4 (0.53) | CYP3A4TSHRTDP1RORCCREBBP | |
| SCHEMBL13077332 | 0.76 | KCNB1 (0.60) | TDP1RORCCREBBPADRB2ADRB1 | |
| SCHEMBL13039940 | 0.76 | LMNA (0.66) | CYP3A4TSHRTDP1RORCCREBBP | |
| SCHEMBL10497899 | 0.73 | CYP3A4 (0.68) | CYP3A4TSHRCREBBPCA9LMNA | |
| SCHEMBL3065130 | 0.73 | CYP3A4 (0.62) | CYP3A4TSHRCREBBPKMT2ACA9 | |
| SCHEMBL30628345 | 0.72 | CYP3A4 (0.61) | CYP3A4TSHRCREBBPCA9LMNA | |
| SCHEMBL3165420 | 0.72 | CYP3A4 (0.61) | CYP3A4TSHRCREBBPCA9LMNA | |
| SCHEMBL13064184 | 0.72 | PTGDR2 (0.71) | CYP3A4TSHRCREBBPKMT2ACA9 | |
| SCHEMBL13064183 | 0.71 | TSHR (0.64) | CYP3A4TSHRCREBBPMEN1KMT2A | |
| SCHEMBL5874111 | 0.71 | CREBBP (0.67) | CYP3A4TSHRTDP1CREBBPMEN1 |
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-4258033-A | CORONARY VASODILATORS EFFECTIVE IN ISCHEMIC HEART DISEASE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1981-03-24 | — | — | US | disclosed |