Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 4/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | NCF1 | P14598 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | AGXT | P21549 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7928359 | 0.90 | IDO1 (0.36) | TDP1L3MBTL1APPIDO1AGXT | |
| SCHEMBL7928441 | 0.86 | TDP1 (0.36) | TDP1L3MBTL1APPADRB2ADRB1 | |
| SCHEMBL6341249 | 0.81 | THRA (0.46) | TDP1L3MBTL1APPKDM4ENCF1 | |
| SCHEMBL17230498 | 0.81 | TDP1 (0.54) | TDP1L3MBTL1APPKDM4EIDO1 | |
| SCHEMBL7929631 | 0.80 | TDP1 (0.40) | TDP1L3MBTL1KDM4ELMNATHRB | |
| SCHEMBL4757401 | 0.76 | IDO1 (0.50) | APPIDO1LMNA | |
| SCHEMBL19543321 | 0.76 | AGXT (0.50) | L3MBTL1IDO1AGXTLMNACA1 | |
| SCHEMBL13316188 | 0.76 | IDO1 (0.46) | APPADRB3KDM4EIDO1LMNA | |
| SCHEMBL7928362 | 0.76 | CA1 (0.37) | TDP1L3MBTL1IDO1AGXTLMNA | |
| SCHEMBL6352411 | 0.76 | ALDH1A1 (0.43) | KDM4ENCF1LMNAPTPN1NQO1 |
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 |