Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | STK17B | O94768 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13239956 | 0.83 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDL3MBTL1TDP1 | |
| SCHEMBL4226377 | 0.77 | RAB9A (0.57) | ALDH1A1KDM4EHPGDTDP1SMN1; SMN2 | |
| SCHEMBL10618299 | 0.77 | TRPA1 (0.52) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL10618307 | 0.77 | TRPA1 (0.52) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL8724175 | 0.77 | KDM4E (0.60) | ALDH1A1KDM4EHPGDL3MBTL1TDP1 | |
| SCHEMBL8724172 | 0.77 | KDM4E (0.60) | ALDH1A1KDM4EHPGDL3MBTL1TDP1 | |
| SCHEMBL7970058 | 0.72 | SMN1; SMN2 (0.49) | ALDH1A1KDM4ETDP1SMN1; SMN2NPC1 | |
| SCHEMBL7970055 | 0.72 | SMN1; SMN2 (0.49) | ALDH1A1KDM4ETDP1SMN1; SMN2NPC1 | |
| SCHEMBL30395765 | 0.71 | KDM4E (0.61) | ALDH1A1KDM4EHPGDL3MBTL1TDP1 | |
| SCHEMBL28996362 | 0.71 | KDM4E (0.61) | ALDH1A1KDM4EHPGDL3MBTL1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0883609-A1 | SELECTIVE D1 DOPAMINE RECEPTOR AGONISTS AND PARTIAL AGONISTS/ANTAGONISTS | Pharmeco Laboratories, Inc. (US) | 1998-12-16 | — | — | EP | disclosed |
| WO-1997030977-A1 | SELECTIVE D1 DOPAMINE RECEPTOR AGONISTS AND PARTIAL AGONISTS/ANTAGONISTS | PHARM-ECO LABORATORIES, INCORPORATED (US) | 1997-08-28 | — | — | WO | disclosed |