Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9510093 | 1.00 | TRPV4 (0.41) | TRPV4CA12CA1CA2CA3 | |
| SCHEMBL9508123 | 0.82 | AHR (0.38) | TRPV4CA12CA1CA2CA3 | |
| SCHEMBL9511270 | 0.80 | L3MBTL1 (0.35) | CA12CA1CA2CA3CA4 | |
| SCHEMBL1991714 | 0.80 | TRPV4 (0.50) | TRPV4CA12CA1CA2CA3 | |
| SCHEMBL4426923 | 0.78 | TRPV4 (0.48) | TRPV4CA12CA1CA2CA3 | |
| SCHEMBL30161536 | 0.75 | TRPV4 (0.47) | TRPV4CA12CA1CA2CA3 | |
| SCHEMBL534192 | 0.75 | TRPV4 (0.47) | TRPV4CA12CA1CA2CA3 | |
| SCHEMBL9510017 | 0.75 | CTPS1 (0.33) | TRPV4 | |
| SCHEMBL9510026 | 0.71 | AHR (0.39) | — | |
| SCHEMBL9508985 | 0.70 | BCHE (0.35) | — |
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-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |