Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9182573 | 0.78 | APLNR (0.41) | ALDH1A1GAAMAPTNPC1RAB9A | |
| SCHEMBL198463 | 0.78 | IDO1 (0.52) | ALDH1A1TSHRGAAMAPTIDO1 | |
| SCHEMBL625370 | 0.77 | GRIN2B (0.40) | ALDH1A1HPGDGAASLC6A4 | |
| SCHEMBL29921250 | 0.77 | GRIN2B (0.40) | ALDH1A1HPGDGAASLC6A4 | |
| SCHEMBL6544128 | 0.76 | ALDH1A1 (0.51) | ALDH1A1HPGDTSHRMAPTKMT2A | |
| SCHEMBL8095035 | 0.73 | KCNH2 (0.37) | ALDH1A1HPGDTSHRGAAMAPT | |
| SCHEMBL8595493 | 0.72 | HTT (0.47) | ALDH1A1TSHRGAAMAPTNPC1 | |
| SCHEMBL7825335 | 0.72 | ALDH1A1 (0.36) | ALDH1A1HPGDTSHRRIPK1IDO1 | |
| SCHEMBL7197450 | 0.72 | L3MBTL1 (0.55) | ALDH1A1HPGDTSHRGAAMAPT | |
| Ammonia Solution, Strong SCHEMBL3938120 | 0.71 | IDO1 (0.44) | ALDH1A1TSHRGAAMAPTIDO1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5412119-A | Method of preparing vicinal aminoalcohols | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1995-05-02 | — | — | US | disclosed |
| EP-0558824-A1 | Method for the preparation of vicinal aminoalcohols and optically active O-protected derivatives thereof | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1993-09-08 | — | — | EP | disclosed |
| EP-0554933-A1 | Method of preparing vicinal aminoalcohols | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1993-08-11 | — | — | EP | disclosed |