Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8566990 | 0.90 | RAB9A (0.45) | ALDH1A1NPC1RAB9AHRH1CCR2 | |
| Hydrochloric Acid SCHEMBL8564423 | 0.80 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AHRH1HRH3 | |
| SCHEMBL21408454 | 0.79 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9AHRH1HRH3 | |
| SCHEMBL21327776 | 0.76 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9AHRH1TP53 | |
| SCHEMBL6640022 | 0.75 | RAB9A (0.49) | ALDH1A1NPC1RAB9ATP53LMNA | |
| SCHEMBL8134659 | 0.74 | RAB9A (0.44) | ALDH1A1NPC1RAB9AHRH1TP53 | |
| SCHEMBL20769878 | 0.73 | SYK (0.47) | ALDH1A1HRH1HRH3LMNATAAR1 | |
| SCHEMBL5320855 | 0.73 | ALDH1A1 (0.69) | ALDH1A1NPC1RAB9AHRH1HRH3 | |
| SCHEMBL29152287 | 0.73 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9AHRH1HRH3 | |
| SCHEMBL13406340 | 0.72 | CYP1A2 (0.57) | ALDH1A1NPC1RAB9AHRH3LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0824524-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1998-02-25 | — | — | EP | disclosed |