Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 3/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7931061 | 0.87 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL10389105 | 0.84 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL13799436 | 0.81 | MEN1 (0.46) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL9499190 | 0.78 | LTA4H (0.46) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL693178 | 0.77 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL1929792 | 0.72 | POLB (0.45) | KMT2AMEN1L3MBTL1TDP1RAB9A | |
| SCHEMBL6689655 | 0.68 | ALDH1A1 (0.54) | CYP1A2KMT2AMEN1L3MBTL1TDP1 | |
| SCHEMBL791424 | 0.67 | — | — | |
| SCHEMBL821637 | 0.67 | MAPT (0.45) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL3900793 | 0.64 | LMNA (0.64) | CYP1A2CYP2C19L3MBTL1RAB9ALMNA |
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 |