Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | GLA | P06280 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5550904 | 0.85 | ALDH1A1 (0.46) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL2401358 | 0.77 | CYP3A4 (0.55) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL30751773 | 0.77 | CYP3A4 (0.55) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL222040 | 0.77 | HTR2C (0.49) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL10573026 | 0.75 | ALDH1A1 (0.54) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL11833898 | 0.74 | CYP3A4 (0.46) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL28981243 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL30645420 | 0.71 | NPC1 (0.49) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL9572104 | 0.71 | ALDH1A1 (0.48) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL452908 | 0.71 | NPC1 (0.49) | ALDH1A1MAPTHPGDGLAACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6232313-B1 | TREATING STROKE OR EPILEPTIC CONVULSIONS ASSOCIATED WITH EXCESSIVE CALCIUM INFLUX IN THE BRAIN CAUSED BY EXCITATORY AMINO ACIDS | ZENECA LIMITED (GB) | 2001-05-15 | — | — | US | disclosed |
| US-6214826-B1 | NERVOUS SYSTEM DISORDERS | ZENECA LIMITED (GB) | 2001-04-10 | — | — | US | disclosed |