Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL28893342 | 0.94 | ALDH1A1 (0.56) | ALDH1A1MMP3BCL2L1RAB9ANPC1 | |
| Biphenyl SCHEMBL28053113 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MMP3BCL2L1RAB9ANPC1 | |
| SCHEMBL7265967 | 0.82 | NPC1 (0.65) | ALDH1A1MMP3RAB9ANPC1SMN1; SMN2 | |
| Biphenyl SCHEMBL28384213 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MMP3BCL2L1MEN1KMT2A | |
| Biphenyl SCHEMBL547965 | 0.74 | ALDH1A1 (0.90) | ALDH1A1MMP3BCL2L1RAB9ANPC1 | |
| Biphenyl SCHEMBL21647236 | 0.74 | ALDH1A1 (0.90) | ALDH1A1MMP3BCL2L1RAB9ANPC1 | |
| Biphenyl SCHEMBL28098924 | 0.74 | ALDH1A1 (0.90) | ALDH1A1MMP3BCL2L1RAB9ANPC1 | |
| Catechol SCHEMBL16584581 | 0.74 | ALDH1A1 (0.59) | ALDH1A1BCL2L1RAB9ANPC1MEN1 | |
| SCHEMBL557667 | 0.74 | ESR2 (0.64) | ALDH1A1SMN1; SMN2ESR2CYP1A2 | |
| Biphenyl SCHEMBL27760195 | 0.72 | ALDH1A1 (0.69) | ALDH1A1MMP3BCL2L1RAB9ANPC1 |
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-6136946-A | ESTER INTERCHANGE WITH HEATING IN PRESENCE OF BASIC OXIDE CATALYST | FUJI XEROX CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |