Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 8/20 | 0.64 |
| ▸ | NPC1 | O15118 | 4/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.64 |
| ▸ | MMP2 | P08253 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP3 | P08254 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.52 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11777198 | 1.00 | EPHX1 (0.64) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL3896507 | 1.00 | EPHX1 (0.64) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL3906177 | 0.97 | — | — | |
| SCHEMBL28009213 | 0.92 | — | — | |
| SCHEMBL8647513 | 0.86 | — | — | |
| SCHEMBL7963535 | 0.81 | EPHX1 (0.67) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL896817 | 0.81 | EPHX1 (0.67) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL24308701 | 0.78 | EPHX1 (1.00) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL23736058 | 0.78 | NPC1 (1.00) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL3076504 | 0.78 | NPC1 (1.00) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4162263-A | Manufacture of aliphatic or cycloaliphatic isocyanates | BASF AKTIENGESELLSCHAFT (DE) | 1979-07-24 | — | — | US | disclosed |