Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.72 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.62 |
| ▸ | GFER | P55789 | 1/20 | 0.60 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.60 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.60 |
| ▸ | CDC25B | P30305 | 2/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.57 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | CDC25A | P30304 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1851249 | 0.84 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1CACNA1BAPBA1HSD17B10 | |
| SCHEMBL14291632 | 0.83 | ALDH1A1 (0.76) | ALDH1A1L3MBTL1GFERCACNA1BAPBA1 | |
| SCHEMBL11757609 | 0.83 | POLB (0.60) | ALDH1A1L3MBTL1AKR1C3CDC25BHSD17B10 | |
| SCHEMBL27524893 | 0.82 | AKR1C3 (0.91) | ALDH1A1AKR1C3CDC25BATMHSD17B10 | |
| 2-Benzoylbenzoic Acid SCHEMBL11757908 | 0.80 | AKR1C3 (0.87) | ALDH1A1AKR1C3CDC25BATMHSD17B10 | |
| SCHEMBL13714163 | 0.80 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1CACNA1BAPBA1HSD17B10 | |
| Acedoben SCHEMBL11257704 | 0.78 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1CACNA1BAPBA1HSD17B10 | |
| SCHEMBL12189604 | 0.78 | GFER (0.75) | ALDH1A1L3MBTL1AKR1C3GFERTDP1 | |
| Acedoben SCHEMBL24320 | 0.78 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1CACNA1BAPBA1HSD17B10 | |
| SCHEMBL1614614 | 0.78 | AKR1C3 (0.83) | ALDH1A1AKR1C3CDC25BATMHSD17B10 |
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-4058529-A | Polycyclic amino derivatives of pyrrolidone and piperidone | CIBA-GEIGY CORPORATION (US) | 1977-11-15 | — | — | US | disclosed |