Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | SOD1 | P00441 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16263296 | 0.89 | MAOB (0.61) | MAOBKDM4EALDH1A1LMNARAB9A | |
| SCHEMBL7934080 | 0.88 | MAOB (0.53) | MAOBKDM4EALDH1A1LMNARAB9A | |
| SCHEMBL15219217 | 0.87 | KDM4E (0.57) | KDM4EALDH1A1LMNAHTTL3MBTL1 | |
| SCHEMBL13883739 | 0.87 | MAOB (0.64) | MAOBKDM4EALDH1A1LMNARAB9A | |
| SCHEMBL16669059 | 0.85 | KDM4E (0.59) | KDM4EALDH1A1LMNAHTTL3MBTL1 | |
| SCHEMBL16667635 | 0.85 | KDM4E (0.59) | KDM4EALDH1A1LMNAHTTL3MBTL1 | |
| SCHEMBL18229304 | 0.84 | KDM4E (0.53) | MAOBKDM4EALDH1A1LMNARAB9A | |
| SCHEMBL18431916 | 0.84 | KDM4E (0.53) | MAOBKDM4EALDH1A1LMNARAB9A | |
| SCHEMBL4653072 | 0.84 | MAOB (0.53) | MAOBKDM4EALDH1A1LMNARAB9A | |
| SCHEMBL1438757 | 0.83 | MAOB (0.56) | MAOBKDM4EALDH1A1LMNARAB9A |
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 |