Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9509561 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL9509614 | 0.97 | ALDH1A1 (0.46) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL9511762 | 0.93 | ALDH1A1 (0.42) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL20956691 | 0.89 | ALDH1A1 (0.55) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL10558471 | 0.89 | ALDH1A1 (0.59) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL9390772 | 0.89 | ALDH1A1 (0.59) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL3597353 | 0.89 | ALDH1A1 (0.59) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL11362865 | 0.88 | ALDH1A1 (0.56) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL10934229 | 0.83 | MAPT (0.42) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL5355893 | 0.82 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0322164-B1 | ETHANOLAMINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1993-09-22 | — | — | EP | disclosed |
| US-5039697-A | Adrenergic stimulants, bronchodilators | GLAXO GROUP LIMITED (GB) | 1991-08-13 | — | — | US | disclosed |
| US-5032609-A | Ethanolamine derivatives | GLAXO GROUP LIMITED (GB) | 1991-07-16 | — | — | US | disclosed |
| US-5002966-A | Adrenergic Stimulants | GLAXO GROUP LIMITED (GB) | 1991-03-26 | — | — | US | disclosed |
| EP-0322164-A2 | Ethanolamine derivatives | GLAXO GROUP LIMITED (GB) | 1989-06-28 | — | — | EP | disclosed |