Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 5/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA6 | P23280 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7928477 | 0.89 | CA2 (0.43) | HTR1BCA2CA12MRGPRX4CHRNB4 | |
| SCHEMBL3798893 | 0.79 | HTR1B (0.46) | HTR1BCA2CA12CA1CA6 | |
| SCHEMBL3794160 | 0.79 | CA12 (0.62) | HTR1BCA2CA12CA1CA6 | |
| SCHEMBL826921 | 0.78 | HTR1B (0.46) | HTR1BCA12CA9MRGPRX4KDM4E | |
| SCHEMBL1602196 | 0.75 | CA12 (0.62) | CA2CA12CA1CA6CA7 | |
| SCHEMBL7931710 | 0.75 | CA9 (0.39) | CA2CA12CA1CA6CA7 | |
| SCHEMBL7928201 | 0.74 | CA12 (0.52) | CA2CA12CA1CA6CA7 | |
| SCHEMBL7931713 | 0.73 | CA9 (0.38) | CA2CA12CA1CA6CA7 | |
| SCHEMBL827318 | 0.72 | CA12 (0.60) | HTR1BCA2CA12CA1CA6 | |
| SCHEMBL26540135 | 0.72 | MRGPRX4 (0.43) | HTR1BCA2MRGPRX4KDM4EALDH1A1 |
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 |