Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | GALR1 | P47211 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 3/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7931169 | 0.88 | CA12 (0.39) | PTGDR2CA9CA12DHODHRXRA | |
| SCHEMBL7974920 | 0.87 | BCL2L1 (0.39) | PTGDR2CA9CA12GALR1LMNA | |
| SCHEMBL7969661 | 0.86 | PTGDR2 (0.41) | PTGDR2CA9CA12P2RY14CTSL | |
| SCHEMBL7929538 | 0.85 | CA12 (0.43) | PTGDR2CA9CA12CTSLDHODH | |
| SCHEMBL7929501 | 0.84 | MCL1 (0.39) | PTGDR2CA9CA12DHODHRXRA | |
| SCHEMBL3499284 | 0.84 | ALAD (0.35) | PTGDR2CA12RXRARXRBGALR1 | |
| SCHEMBL7970423 | 0.81 | HAO1 (0.35) | DHODH | |
| SCHEMBL7931034 | 0.81 | MAPT (0.41) | CA9CA12DHODHRXRA | |
| SCHEMBL7929550 | 0.81 | RXRA (0.37) | DHODHRXRARXRBRXRGKIF11 | |
| SCHEMBL7972312 | 0.81 | CCR5 (0.38) | PTGDR2CA9CA12CTSLRXRA |
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 |