Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | RECQL | P46063 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8685817 | 0.83 | ALDH1A1 (0.38) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL7931309 | 0.82 | TSHR (0.48) | MAPTMEN1KMT2ATSHRKDM4E | |
| SCHEMBL1432466 | 0.81 | ALDH1A1 (0.45) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL7929581 | 0.81 | MEN1 (0.38) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL6350560 | 0.80 | ALDH1A1 (0.34) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL6350557 | 0.79 | ALDH1A1 (0.34) | ALDH1A1MAPK1MAPTRECQLL3MBTL1 | |
| SCHEMBL381900 | 0.77 | ALDH1A1 (0.58) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL11507076 | 0.76 | TSHR (0.53) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11508150 | 0.75 | ALDH1A1 (0.64) | ALDH1A1MAPK1MAPTRECQLL3MBTL1 | |
| SCHEMBL9185892 | 0.75 | ALDH1A1 (0.58) | ALDH1A1MAPK1MAPTRECQLL3MBTL1 |
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 |