Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL7456174 | 0.78 | ALOX12 (0.48) | CA2CA1CA9ALDH1A1MAPT | |
| Ethylbenzene SCHEMBL7449056 | 0.76 | TP53 (0.58) | TP53CA2TAS2R14PSIP1FAAH | |
| Benzene SCHEMBL7461282 | 0.76 | — | — | |
| Ethylbenzene SCHEMBL10386570 | 0.74 | TP53 (0.70) | TP53CA2TAS2R14PSIP1FAAH | |
| Ethylbenzene SCHEMBL6362282 | 0.74 | TP53 (0.70) | TP53CA2TAS2R14PSIP1FAAH | |
| Ethylbenzene SCHEMBL1818291 | 0.74 | TP53 (0.70) | TP53CA2TAS2R14PSIP1FAAH | |
| Ethylbenzene SCHEMBL28675405 | 0.74 | TP53 (0.70) | TP53CA2TAS2R14PSIP1FAAH | |
| Ethylbenzene SCHEMBL27646866 | 0.74 | TP53 (0.78) | TP53ALDH1A1MAPTNPC1RAB9A | |
| Ethylbenzene SCHEMBL11223212 | 0.73 | TP53 (1.00) | TP53ALDH1A1MAPTKDM4ERAB9A | |
| Ethylbenzene SCHEMBL7458207 | 0.73 | TP53 (1.00) | TP53ALDH1A1MAPTKDM4ERAB9A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1162962-A4 | ALKYNYL ARYL SULFONES | LONZA AG (US) | 2002-10-30 | — | — | EP | claimed |
| EP-1162962-A1 | ALKYNYL ARYL SULFONES | LONZA INC. (US) | 2001-12-19 | — | — | EP | claimed |
| US-6232503-B1 | MICROBIOCIDES | LONZA INC. | 2001-05-15 | — | — | US | claimed |
| WO-2000056305-A1 | ALKYNYL ARYL SULFONES | LONZA INC. (US) | 2000-09-28 | — | — | WO | claimed |
| EP-1162962-A4 | ALKYNYL ARYL SULFONES | LONZA AG (US) | 2002-10-30 | — | — | EP | disclosed |
| EP-1162962-A1 | ALKYNYL ARYL SULFONES | LONZA INC. (US) | 2001-12-19 | — | — | EP | disclosed |
| US-6232503-B1 | MICROBIOCIDES | LONZA INC. | 2001-05-15 | — | — | US | disclosed |
| WO-2000056305-A1 | ALKYNYL ARYL SULFONES | LONZA INC. (US) | 2000-09-28 | — | — | WO | disclosed |