Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 5/20 | 0.37 |
| ▸ | GALR1 | P47211 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | YES1 | P07947 | 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 | |
|---|---|---|---|---|
| SCHEMBL7971878 | 0.92 | MCL1 (0.38) | CTSLCCR5CA12CA9POLB | |
| SCHEMBL7972312 | 0.88 | CCR5 (0.38) | CTSLCCR5GALR1CA12CA9 | |
| SCHEMBL7975083 | 0.88 | CA12 (0.39) | CCR5CA12CA9POLBRAB9A | |
| SCHEMBL7934057 | 0.88 | SLC6A3 (0.40) | CA12CA9NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7922057 | 0.88 | MAPT (0.42) | CCR5GALR1NPC1RAB9AHPGD | |
| SCHEMBL7959206 | 0.88 | POLB (0.34) | CTSLCCR5CA12CA9POLB | |
| SCHEMBL7969353 | 0.87 | SLC6A3 (0.40) | CA12CA9POLBNPC1RAB9A | |
| SCHEMBL7934163 | 0.87 | KDM4E (0.45) | CA12CA9NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7928260 | 0.87 | KIF11 (0.38) | CA12CA9POLBTSHRALDH1A1 | |
| SCHEMBL7922070 | 0.86 | L3MBTL1 (0.35) | CA12CA9NPC1SMN1; SMN2TSHR |
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 |