Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 2/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL3789173 | 0.79 | MCHR1 (0.49) | MCHR1MEN1ALDH1A1LMNAHPGD | |
| SCHEMBL3789397 | 0.79 | MCHR1 (0.46) | MCHR1HTR1ASLC6A4 | |
| SCHEMBL3799434 | 0.78 | MCHR1 (0.44) | MCHR1MEN1ALDH1A1LMNAHPGD | |
| SCHEMBL3795511 | 0.74 | MCHR1 (0.48) | MCHR1HTR1ASLC6A4CNR2 | |
| SCHEMBL7929500 | 0.74 | CNR2 (0.36) | ALDH1A1LMNAKMT2ACNR2 | |
| SCHEMBL7928500 | 0.74 | NCF1 (0.40) | MCHR1HTR1ASLC6A4MEN1ALDH1A1 | |
| SCHEMBL11849207 | 0.72 | KMT2A (0.40) | MEN1ALDH1A1LMNAHPGDKMT2A | |
| SCHEMBL7929506 | 0.72 | CNR2 (0.38) | MEN1ALDH1A1LMNAKMT2ACNR2 | |
| SCHEMBL11810492 | 0.72 | MEN1 (0.33) | SLC6A4MEN1ALDH1A1LMNAHPGD | |
| SCHEMBL3796715 | 0.72 | ADORA3 (0.49) | MEN1ALDH1A1KMT2A |
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 |