Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14582254 | 0.78 | FFAR1 (0.50) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL9762660 | 0.76 | PLA2G4B (0.47) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL23014808 | 0.75 | NPSR1 (0.44) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL9574159 | 0.75 | ALDH1A1 (0.58) | ALDH1A1MAPTHDAC1HDAC2HDAC3 | |
| SCHEMBL9574194 | 0.75 | MAPT (0.59) | ALDH1A1MAPTHDAC1HDAC2FFAR1 | |
| SCHEMBL7055462 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL10361085 | 0.74 | HDAC1 (0.65) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL9584851 | 0.73 | ALDH1A1 (0.59) | ALDH1A1MAPTHDAC1HDAC2HDAC3 | |
| SCHEMBL9574169 | 0.73 | ALDH1A1 (0.59) | ALDH1A1MAPTHDAC1HDAC2HDAC3 | |
| SCHEMBL18641735 | 0.73 | EPHX2 (0.54) | ALDH1A1MAPTTSHRHTT |
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-4990505-A | Treating asthma, bronchitis; adrenergic stimulants | GLAXO GROUP LIMITED (GB) | 1991-02-05 | — | — | US | disclosed |