Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.51 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | ABL1 | P00519 | 2/20 | 0.48 |
| ▸ | TTR | P02766 | 2/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.48 |
| ▸ | BCR | P11274 | 2/20 | 0.48 |
| ▸ | NQO2 | P16083 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21568019 | 0.86 | ALDH1A1 (0.56) | ALDH1A1MAOAMAOBALOX5APP | |
| SCHEMBL10707297 | 0.82 | ALDH1A1 (0.73) | ALDH1A1ALOX5CYP2D6NPC1RAB9A | |
| SCHEMBL21551943 | 0.82 | ALDH1A1 (0.51) | ALDH1A1ALOX5KDM4EGAAMAPT | |
| SCHEMBL21551921 | 0.81 | HDAC1 (0.57) | ALDH1A1ALOX5CYP2D6MAPTCYP1A2 | |
| SCHEMBL6641126 | 0.81 | ALDH1A1 (0.56) | ALDH1A1ALOX5APPTTRKDM4E | |
| SCHEMBL6641130 | 0.81 | ALDH1A1 (0.56) | ALDH1A1ALOX5APPTTRKDM4E | |
| SCHEMBL22708463 | 0.80 | ALDH1A1 (0.57) | ALDH1A1ALOX5KDM4EGAAMAPK1 | |
| SCHEMBL21551834 | 0.79 | HDAC4 (0.50) | ALDH1A1ALOX5KDM4EGAAHDAC6 | |
| SCHEMBL21552087 | 0.78 | MCHR1 (0.54) | ALDH1A1ALOX5CYP1A1CYP1B1HDAC6 | |
| SCHEMBL6642558 | 0.78 | ALDH1A1 (0.55) | ALDH1A1ALOX5KDM4EKMT2AHDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019216810-A1 | NEW ANTIFUNGAL COMPOUNDS | URBAN CONSTANTIN (SE) | 2019-11-14 | — | — | WO | disclosed |