Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL83065 | 0.81 | AKR1C3 (0.55) | AKR1C3ALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL3485765 | 0.81 | AKR1C3 (0.55) | AKR1C3ALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL3818255 | 0.81 | AKR1C3 (0.55) | AKR1C3ALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL4216114 | 0.80 | MEN1 (0.47) | AKR1C3MEN1KMT2AMAPTNPSR1 | |
| SCHEMBL394182 | 0.80 | AKR1C3 (0.66) | AKR1C3AKR1C2HSD17B3ALDH1A1SLC6A19 | |
| SCHEMBL4216117 | 0.80 | MEN1 (0.47) | AKR1C3MEN1KMT2AMAPTNPSR1 | |
| SCHEMBL2419606 | 0.80 | AKR1C3 (0.66) | AKR1C3AKR1C2HSD17B3ALDH1A1SLC6A19 | |
| SCHEMBL394183 | 0.80 | AKR1C3 (0.66) | AKR1C3AKR1C2HSD17B3ALDH1A1SLC6A19 | |
| Hydrochloric Acid SCHEMBL10437231 | 0.79 | AKR1C3 (0.53) | AKR1C3ALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL8351839 | 0.79 | AKR1C3 (0.53) | AKR1C3ALDH1A1MEN1KMT2ANPC1 |
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-5543415-A | ADMINISTERING A XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-08-06 | — | — | US | disclosed |