Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.35 |
| ▸ | ACACB | O00763 | 2/20 | 0.33 |
| ▸ | ACACA | Q13085 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.31 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7934070 | 0.88 | KMT2A (0.37) | KMT2AMTNR1AMTNR1BACACBACACA | |
| SCHEMBL6343472 | 0.83 | LTA4H (0.30) | — | |
| SCHEMBL4615206 | 0.78 | ALDH1A1 (0.40) | MTNR1AMTNR1BKDM4ENSD2ALDH1A1 | |
| SCHEMBL4191032 | 0.78 | LTA4H (0.41) | KMT2AMTNR1AMTNR1BKDM4E | |
| SCHEMBL17147973 | 0.77 | HDAC4 (0.42) | KMT2AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1355045 | 0.77 | TP53 (0.40) | KMT2AMTNR1AMTNR1BKDM4EALDH1A1 | |
| SCHEMBL7929519 | 0.76 | KMT2A (0.53) | KMT2AKDM4EGPBAR1CYSLTR1 | |
| SCHEMBL1397020 | 0.76 | TLR4 (0.41) | KMT2AKDM4EALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL20885297 | 0.76 | LMNA (0.44) | MTNR1AMTNR1BKDM4ENSD2ALDH1A1 | |
| SCHEMBL6344846 | 0.76 | LTA4H (0.33) | — |
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 |