Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19319084 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPTPOLBHPGDCYP3A4 | |
| SCHEMBL10441736 | 0.81 | HPGD (0.59) | ALDH1A1MAPTPOLBHPGDTSHR | |
| SCHEMBL19319112 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPTPOLBHPGDCYP3A4 | |
| SCHEMBL16706063 | 0.81 | TSHR (0.55) | ALDH1A1MAPTPOLBHPGDALOX5 | |
| SCHEMBL2653231 | 0.80 | ALDH1A1 (0.58) | ALDH1A1MAPTPOLBHPGDCYP3A4 | |
| Methane SCHEMBL11684216 | 0.77 | CYP2C19 (0.46) | ALDH1A1MAPTPOLBHPGDCYP3A4 | |
| SCHEMBL3321731 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPTPOLBHPGDCYP3A4 | |
| SCHEMBL10441789 | 0.77 | RAB9A (0.54) | ALDH1A1MAPTPOLBHPGDGFER | |
| SCHEMBL28478775 | 0.76 | ALDH1A1 (0.48) | ALDH1A1MAPTPOLBHPGDALOX5 | |
| SCHEMBL7701579 | 0.76 | ALOX5 (0.43) | ALDH1A1MAPTPOLBHPGDCYP3A4 |
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-6399787-B1 | TRANSITION METAL COMPLEX | PENN STATE RESEARCH FOUNDATION | 2002-06-04 | — | — | US | disclosed |
| WO-1999059721-A1 | CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES | THE PENN STATE RESEARCH FOUNDATION (US) | 1999-11-25 | — | — | WO | disclosed |
| US-5117000-A | Preparation of N-[(1-(thienyl)alkyl]amine derivative | DAIKIN INDUSTRIES, LTD. (JP) | 1992-05-26 | — | — | US | disclosed |