Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.71 |
| ▸ | CA1 | P00915 | 1/20 | 0.71 |
| ▸ | CA2 | P00918 | 1/20 | 0.71 |
| ▸ | CA7 | P43166 | 1/20 | 0.71 |
| ▸ | CA9 | Q16790 | 1/20 | 0.71 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2178292 | 0.84 | CA2 (0.67) | CA12CA1CA2CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL29350371 | 0.84 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL27777905 | 0.84 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL481491 | 0.84 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2936012 | 0.83 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30702417 | 0.83 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9941710 | 0.79 | CA12 (0.81) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6264077 | 0.78 | ACHE (0.71) | CA12CA1CA2CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL27740813 | 0.77 | CA12 (0.86) | CA12CA1CA2CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL27582647 | 0.77 | CA2 (0.86) | CA12CA1CA2CA7CA9 |
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 |