Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | NCF1 | P14598 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15219217 | 0.89 | KDM4E (0.57) | KDM4EHTTLMNATSHRMAPT | |
| SCHEMBL7928470 | 0.88 | KDM4E (0.48) | KDM4EHTTLMNATSHRMAPT | |
| SCHEMBL16669059 | 0.87 | KDM4E (0.59) | KDM4EHTTLMNATSHRMAPT | |
| SCHEMBL16667635 | 0.87 | KDM4E (0.59) | KDM4EHTTLMNATSHRMAPT | |
| SCHEMBL7922022 | 0.87 | KDM4E (0.48) | KDM4EHTTLMNATSHRMAPT | |
| SCHEMBL7929519 | 0.84 | KMT2A (0.53) | KDM4ELMNATSHRMAPTKMT2A | |
| SCHEMBL7931732 | 0.83 | TP53 (0.57) | KDM4EHTTLMNATSHRMAPT | |
| SCHEMBL6396350 | 0.82 | TSHR (0.53) | TSHRKMT2AMAPK1CYP1A2CYP2D6 | |
| SCHEMBL5038332 | 0.82 | MAPK1 (0.62) | KDM4EHTTLMNATSHRMAPT | |
| SCHEMBL6341249 | 0.82 | THRA (0.46) | KDM4ELMNATSHRMEN1KMT2A |
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 |