Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 10/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 10/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7929541 | 0.90 | TAS1R3 (0.36) | TAS1R3TAS1R1MAOBMAOAADAM17 | |
| SCHEMBL7931710 | 0.90 | CA9 (0.39) | MAOBMAOACA12CA1CA2 | |
| SCHEMBL7931669 | 0.81 | MAOB (0.48) | MAOBMAOACA12CA1CA2 | |
| SCHEMBL7931713 | 0.81 | CA9 (0.38) | MAOBMAOACA12CA1CA2 | |
| SCHEMBL7928477 | 0.75 | CA2 (0.43) | TAS1R3TAS1R1CA12CA2 | |
| SCHEMBL6343472 | 0.75 | LTA4H (0.30) | — | |
| SCHEMBL7929500 | 0.74 | CNR2 (0.36) | CA12CA1CA2CA9 | |
| SCHEMBL7934064 | 0.73 | KMT2A (0.36) | — | |
| SCHEMBL7931672 | 0.71 | MAOB (0.46) | MAOBMAOACA12CA1CA2 | |
| SCHEMBL7929599 | 0.70 | CA9 (0.58) | MAOBMAOACA12CA1CA2 |
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 |