Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.67 |
| ▸ | CA2 | P00918 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | STS | P08842 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ACR | P10323 | 1/20 | 0.47 |
| ▸ | HGFAC | Q04756 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1003779 | 0.86 | CA1 (0.64) | CA1CA2MAPTTDP1CA12 | |
| SCHEMBL28993944 | 0.82 | CA1 (0.80) | CA1CA2MAPTTDP1CA12 | |
| SCHEMBL23600 | 0.82 | CA1 (0.80) | CA1CA2MAPTTDP1CA12 | |
| SCHEMBL31072061 | 0.81 | CA1 (0.58) | CA1CA2MAPTTDP1CA12 | |
| SCHEMBL31072060 | 0.81 | CA1 (0.58) | CA1CA2MAPTTDP1CA12 | |
| SCHEMBL3902505 | 0.81 | CA1 (0.69) | CA1CA2MAPTTDP1CA12 | |
| SCHEMBL69218 | 0.80 | CA1 (0.75) | CA1CA2MAPTTDP1CA12 | |
| Methyl 4-Methoxybenzoate SCHEMBL231243 | 0.80 | CA1 (1.00) | CA1CA2MAPTTDP1CA12 | |
| SCHEMBL28067352 | 0.80 | CA1 (0.56) | CA1CA2MAPTTDP1CA12 | |
| Water SCHEMBL22720573 | 0.79 | CA1 (0.76) | CA1CA2MAPTTDP1CA12 |
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 |