Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 14/20 | 0.42 |
| ▸ | CA9 | Q16790 | 12/20 | 0.42 |
| ▸ | CA1 | P00915 | 12/20 | 0.42 |
| ▸ | CA12 | O43570 | 11/20 | 0.42 |
| ▸ | CA7 | P43166 | 5/20 | 0.42 |
| ▸ | CA5A | P35218 | 4/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.42 |
| ▸ | CA6 | P23280 | 2/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | AGO2 | Q9UKV8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL398361 | 0.71 | CA2 (0.46) | ALDH1A1HTTCA2CA9CA1 | |
| SCHEMBL1683860 | 0.71 | KMT2A (0.38) | ALDH1A1TSHRCA4 | |
| SCHEMBL4584600 | 0.70 | ALDH1A1 (0.60) | ALDH1A1HTTCA2CA9CA1 | |
| SCHEMBL84516 | 0.69 | CA2 (0.68) | ALDH1A1CA2CA9CA1CA12 | |
| SCHEMBL7863958 | 0.68 | CYP2A6 (0.39) | ALDH1A1HTTCA2CA9CA12 | |
| SCHEMBL8248221 | 0.67 | ALDH1A1 (0.62) | ALDH1A1CA2CA9CA1CA12 | |
| Fluoride SCHEMBL28353367 | 0.67 | CA2 (0.66) | ALDH1A1CA2CA9CA1CA12 | |
| Hydrochloric Acid SCHEMBL3532247 | 0.67 | CA2 (0.66) | ALDH1A1CA2CA9CA1CA12 | |
| SCHEMBL1790668 | 0.67 | ALDH1A1 (0.62) | ALDH1A1CA2CA9CA1CA12 | |
| SCHEMBL9423733 | 0.67 | CA2 (0.66) | ALDH1A1CA2CA9CA1CA12 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1137645-A2 | ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-04 | — | — | EP | disclosed |
| EP-1137633-A2 | ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-04 | — | — | EP | disclosed |
| EP-1137647-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000034268-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |
| WO-2000034260-A2 | ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |
| WO-2000034237-A2 | ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |