Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 9/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | GALR1 | P47211 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7974920 | 0.88 | BCL2L1 (0.39) | CA12CA9PTGDR2GALR1SMN1; SMN2 | |
| SCHEMBL7970423 | 0.87 | HAO1 (0.35) | MCL1DHODHCCR5 | |
| SCHEMBL3499284 | 0.87 | ALAD (0.35) | CA12PTGDR2RXRARXRBGALR1 | |
| SCHEMBL7931223 | 0.86 | MCL1 (0.41) | MCL1CA12CA9DHODHCCR5 | |
| SCHEMBL7929550 | 0.86 | RXRA (0.37) | DHODHAKR1C2AKR1C1RXRARXRB | |
| SCHEMBL7975083 | 0.86 | CA12 (0.39) | CA12CA9CCR5MAPTHTT | |
| SCHEMBL7931169 | 0.86 | CA12 (0.39) | CA12CA9PTGDR2DHODHCCR5 | |
| SCHEMBL7972312 | 0.86 | CCR5 (0.38) | MCL1CA12CA9PTGDR2CCR5 | |
| SCHEMBL7931034 | 0.86 | MAPT (0.41) | CA12CA9DHODHRXRANPC1 | |
| SCHEMBL7929430 | 0.84 | PTGS2 (0.36) | PTGDR2CCR5 |
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 |