Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8909225 | 1.00 | ALDH1A1 (0.52) | ALDH1A1TDP1GRIN1GRIN2BNOS2 | |
| SCHEMBL25890205 | 0.76 | ALDH1A1 (0.49) | ALDH1A1TDP1MEN1KMT2ACYP2C19 | |
| SCHEMBL7536792 | 0.76 | ALDH1A1 (0.67) | ALDH1A1TDP1MEN1KMT2ACYP2C19 | |
| SCHEMBL21417386 | 0.74 | GRIN2B (0.49) | ALDH1A1TDP1GRIN1GRIN2BNOS2 | |
| SCHEMBL4158448 | 0.72 | ALDH1A1 (0.47) | ALDH1A1GRIN1GRIN2BMEN1KMT2A | |
| SCHEMBL19986856 | 0.72 | GRIN2B (0.47) | ALDH1A1GRIN1GRIN2BNOS2MEN1 | |
| SCHEMBL7598627 | 0.71 | KMT2A (0.67) | ALDH1A1GRIN1GRIN2BMEN1KMT2A | |
| SCHEMBL21417389 | 0.71 | GRIN2B (0.46) | ALDH1A1TDP1GRIN1GRIN2BNOS2 | |
| SCHEMBL22068858 | 0.71 | NOS2 (0.65) | ALDH1A1GRIN1GRIN2BNOS2HPGD | |
| SCHEMBL22068857 | 0.71 | NOS2 (0.65) | ALDH1A1GRIN1GRIN2BNOS2HPGD |
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-5686616-A | Process for preparing an optically active amine | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1997-11-11 | — | — | US | disclosed |