Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | STAT1 | P42224 | 1/20 | 0.35 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.35 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7934206 | 0.99 | DHODH (0.38) | KDM4EDHODHIP6K1CHEK1CCR5 | |
| Hydrochloric Acid SCHEMBL7968862 | 0.99 | KDM4E (0.36) | KDM4EDHODHIP6K1CHEK1CCR5 | |
| SCHEMBL7929505 | 0.91 | KMO (0.39) | KDM4EALDH1A1MAPTHSD17B10 | |
| Hydrochloric Acid SCHEMBL7971793 | 0.90 | AOC3 (0.40) | KDM4EALDH1A1MAPTHSD17B10L3MBTL1 | |
| SCHEMBL7959102 | 0.87 | ALDH1A1 (0.42) | KDM4ECCR5ALDH1A1HPGDNPC1 | |
| SCHEMBL7972710 | 0.86 | ALDH1A1 (0.41) | KDM4ECCR5ALDH1A1NPC1RAB9A | |
| SCHEMBL7974920 | 0.83 | BCL2L1 (0.39) | KDM4EHSD17B10SMN1; SMN2LMNAKMT2A | |
| SCHEMBL7929501 | 0.82 | MCL1 (0.39) | DHODHCCR5NPC1RAB9AMAPT | |
| SCHEMBL3499284 | 0.82 | ALAD (0.35) | POLBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7970423 | 0.80 | HAO1 (0.35) | DHODHCCR5 |
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 |