Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | F2RL3 | Q96RI0 | 4/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 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 | |
|---|---|---|---|---|
| SCHEMBL7929575 | 0.92 | CNR2 (0.44) | CNR2CA12CA1CA2CA9 | |
| SCHEMBL7929572 | 0.82 | F2RL3 (0.47) | CNR2CA12CA1CA2CA9 | |
| SCHEMBL7929506 | 0.79 | CNR2 (0.38) | CNR2CA12CA1CA2CA9 | |
| SCHEMBL7928360 | 0.74 | ALDH1A1 (0.46) | KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL7928459 | 0.74 | CA9 (0.48) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL7929537 | 0.74 | MAOB (0.41) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL29952623 | 0.74 | F2RL3 (0.47) | CNR2CA12CA1CA2CA9 | |
| SCHEMBL11023658 | 0.71 | CA12 (0.48) | CNR2CA12CA1CA2CA9 | |
| SCHEMBL7928500 | 0.71 | NCF1 (0.40) | KDM4EMEN1ALDH1A1KMT2ANCF1 | |
| SCHEMBL15417664 | 0.70 | F2RL3 (0.47) | CNR2CA12CA1CA2CA9 |
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 |