Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7931064 | 0.91 | ESR1 (0.42) | ALDH1A1KDM4EESR1HTTL3MBTL1 | |
| SCHEMBL7922023 | 0.89 | NCF1 (0.38) | ALDH1A1KDM4ESMN1; SMN2HTR1ARARB | |
| SCHEMBL7216146 | 0.88 | HTR1A (0.40) | ALDH1A1KDM4ESMN1; SMN2HTR1ARARB | |
| SCHEMBL7934231 | 0.88 | KDM4E (0.40) | ALDH1A1KDM4ESMN1; SMN2RARBHTT | |
| SCHEMBL7931127 | 0.84 | L3MBTL1 (0.48) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL7929534 | 0.84 | L3MBTL1 (0.42) | ALDH1A1KDM4EL3MBTL1HPGDMEN1 | |
| SCHEMBL7934233 | 0.79 | KDM4E (0.40) | ALDH1A1KDM4ESMN1; SMN2HTR1ARARB | |
| SCHEMBL6342713 | 0.79 | LMNA (0.44) | ALDH1A1KDM4ESMN1; SMN2RARBL3MBTL1 | |
| SCHEMBL7931065 | 0.78 | ESR1 (0.43) | ALDH1A1KDM4EESR1HTTHPGD | |
| SCHEMBL7922026 | 0.78 | HTT (0.39) | ALDH1A1KDM4ESMN1; SMN2HTR1ARARB |
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 |