Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | RECQL | P46063 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.53 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11264778 | 0.94 | ADORA3 (0.61) | ALDH1A1MAPTRECQLKDM4EMEN1 | |
| SCHEMBL31059903 | 0.80 | ADORA3 (0.68) | ALDH1A1MAPTRECQLKDM4EMEN1 | |
| SCHEMBL10830286 | 0.80 | PDE1C (0.70) | ALDH1A1KDM4ESMN1; SMN2TSHRADORA3 | |
| SCHEMBL10587428 | 0.79 | KDM4E (1.00) | ALDH1A1MAPTRECQLKDM4EMEN1 | |
| SCHEMBL9831380 | 0.79 | KDM4E (0.86) | ALDH1A1MAPTRECQLKDM4EMEN1 | |
| SCHEMBL8106730 | 0.79 | KDM4E (0.86) | ALDH1A1MAPTRECQLKDM4EMEN1 | |
| SCHEMBL9424581 | 0.79 | PDE1C (0.64) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL11776631 | 0.79 | CACNA1C (0.74) | MAPTMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL9831160 | 0.78 | KDM4E (0.64) | ALDH1A1MAPTRECQLKDM4EMEN1 | |
| SCHEMBL9765731 | 0.78 | ADORA3 (0.79) | ALDH1A1MAPTKDM4EMEN1KMT2A |
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-2311806-A2 | Dihydropyridine-, pyridine-, benzopyranone- and triazoloquinazoline derivatives, their preparation and their use as adenosine receptor antagonists | The United States of America, Represented by the Secretary, Department of Health and Human Services (US) | 2011-04-20 | — | — | EP | disclosed |
| US-6066642-A | FOR SELECTIVELY BLOCKING THE A3 ADENOSINE RECEPTOR OF A MAMMAL | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-05-23 | — | — | US | disclosed |