Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | POLA1 | P09884 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7713216 | 0.83 | ALDH1A1 (0.55) | ALDH1A1KDM4ETSHRTDP1POLA1 | |
| SCHEMBL6785200 | 0.81 | MAPT (0.46) | ALDH1A1KDM4EGAAMAPTCYP3A4 | |
| SCHEMBL7294205 | 0.78 | POLA1 (0.45) | ALDH1A1KDM4ETDP1POLA1HPGD | |
| SCHEMBL1495945 | 0.77 | HTR2C (0.50) | MAPTCYP3A4 | |
| SCHEMBL1496270 | 0.77 | MAPT (0.38) | ALDH1A1KDM4EGAASMN1; SMN2MAPT | |
| SCHEMBL1496061 | 0.76 | CYP3A4 (0.40) | MAPTCYP3A4 | |
| SCHEMBL10324926 | 0.76 | HTR2A (0.41) | GAAMAPTNPC1CYP3A4 | |
| SCHEMBL4235784 | 0.76 | BCHE (0.45) | ALDH1A1TSHRLMNAMAPTHSD17B10 | |
| SCHEMBL10960868 | 0.74 | SMN1; SMN2 (0.41) | ALDH1A1TSHRGAASMN1; SMN2MAPT | |
| SCHEMBL4654263 | 0.73 | RXRA (0.37) | ALDH1A1POLA1MAPTCYP3A4 |
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-4980352-A | HYPOTENSIVE AGENTS; POTASSIUM-CONSERVING | ICI AMERICAS INC. (US) | 1990-12-25 | — | — | US | disclosed |
| EP-0343865-A1 | Bicyclic compounds | ICI AMERICAS INC. (US) | 1989-11-29 | — | — | EP | disclosed |