Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9284618 | 0.88 | ALDH1A1 (0.41) | CYP1A2ALDH1A1HPGDMAPTHTT | |
| SCHEMBL14065364 | 0.80 | ALDH1A1 (0.53) | CYP1A2ALDH1A1AKR1C3AKR1C1POLB | |
| SCHEMBL9704729 | 0.79 | ALDH1A1 (0.38) | CYP1A2ALDH1A1AKR1C3AKR1C1MAPT | |
| SCHEMBL7860940 | 0.79 | HPGD (0.40) | ALDH1A1HPGDL3MBTL1 | |
| SCHEMBL2769652 | 0.78 | ALDH1A1 (0.59) | CYP1A2ALDH1A1SMN1; SMN2L3MBTL1POLB | |
| SCHEMBL3881452 | 0.78 | ALDH1A1 (0.59) | CYP1A2ALDH1A1SMN1; SMN2L3MBTL1POLB | |
| SCHEMBL12341890 | 0.78 | ALDH1A1 (0.59) | CYP1A2ALDH1A1SMN1; SMN2L3MBTL1POLB | |
| SCHEMBL3893098 | 0.78 | ALDH1A1 (0.59) | CYP1A2ALDH1A1SMN1; SMN2L3MBTL1POLB | |
| SCHEMBL4175399 | 0.76 | ALDH1A1 (0.40) | ALDH1A1AKR1C3AKR1C1NPC1CASP3 | |
| SCHEMBL9152220 | 0.75 | PGK1 (0.52) | ALDH1A1AKR1C3AKR1C1NPSR1CTSB |
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-5175153-A | Antiischemic agents or antiepileptic agents | WARNER-LAMBERT COMPANY (US) | 1992-12-29 | — | — | US | disclosed |