Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16362049 | 0.86 | SMN1; SMN2 (0.44) | ALDH1A1NSD2NSD3HPGDTSHR | |
| SCHEMBL7929556 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HPGDTSHRL3MBTL1GAA | |
| SCHEMBL5881114 | 0.84 | HPGD (0.55) | ALDH1A1NSD2NSD3HPGDTSHR | |
| SCHEMBL1509935 | 0.84 | HPGD (0.51) | ALDH1A1HPGDTSHRL3MBTL1GAA | |
| SCHEMBL29929937 | 0.83 | NSD2 (0.44) | NSD2NSD3HPGDL3MBTL1KDM4E | |
| SCHEMBL9340707 | 0.83 | L3MBTL1 (0.46) | ALDH1A1HPGDL3MBTL1POLBLMNA | |
| SCHEMBL1311491 | 0.83 | SMN1; SMN2 (0.49) | NSD2NSD3HPGDTSHRL3MBTL1 | |
| SCHEMBL1823347 | 0.83 | NSD2 (0.44) | NSD2NSD3HPGDL3MBTL1KDM4E | |
| SCHEMBL27082290 | 0.83 | ALDH1A1 (0.48) | ALDH1A1HPGDTSHRL3MBTL1SMN1; SMN2 | |
| SCHEMBL6687682 | 0.81 | SMN1; SMN2 (0.50) | NSD2NSD3HPGDL3MBTL1HTT |
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 |