Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.43 |
| ▸ | CA12 | O43570 | 5/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 5/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.36 |
| ▸ | WNT3A | P56704 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7928197 | 0.89 | HTR1B (0.40) | CA2CA12CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3791985 | 0.79 | CA2 (0.47) | CA2CA12CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3541660 | 0.79 | CHRNB4 (0.56) | CA2CA12CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3794109 | 0.78 | CA2 (0.46) | CA2CA12CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL827016 | 0.75 | CHRNB4 (0.56) | CA2CA12CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7929535 | 0.75 | TAS1R3 (0.35) | CA2CA12TAS1R3TAS1R1 | |
| SCHEMBL7928373 | 0.74 | CHRNB4 (0.51) | CA2CA12CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7929541 | 0.73 | TAS1R3 (0.36) | TAS1R3TAS1R1 | |
| SCHEMBL7931710 | 0.72 | CA9 (0.39) | CA2CA12 | |
| SCHEMBL3791638 | 0.72 | CA2 (0.51) | CA2CA12CHRNB4CHRNA3CHRNA7 |
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-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |