Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | CA7 | P43166 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | GLA | P06280 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9174091 | 0.98 | HSD17B1 (0.44) | HSD17B1ALDH1A1HPGDCYP3A4MAPK1 | |
| Acetic Acid SCHEMBL9056173 | 0.96 | CA12 (0.45) | HSD17B1ALDH1A1HPGDCYP3A4MAPK1 | |
| SCHEMBL11840032 | 0.83 | ALDH1A1 (0.46) | HSD17B1ALDH1A1HPGDCYP3A4MAPK1 | |
| SCHEMBL440293 | 0.80 | ALDH1A1 (0.61) | ALDH1A1HPGDCYP3A4CA12CA1 | |
| SCHEMBL164897 | 0.80 | CA12 (0.46) | ALDH1A1HPGDMAPK1CA12CA1 | |
| SCHEMBL3181880 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP3A4MAPK1KDM4E | |
| SCHEMBL16520525 | 0.79 | ALDH1A1 (0.55) | HSD17B1ALDH1A1HPGDCYP3A4MAPK1 | |
| SCHEMBL4385594 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP3A4MAPK1CA1 | |
| SCHEMBL12045429 | 0.78 | PRKCI (0.58) | ALDH1A1HPGDMAPK1KDM4EGLA | |
| SCHEMBL30310763 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP3A4MAPK1CA1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5276191-A | Reacting phenol with a nitrile in presence of Lewis acid catalyst in nitroalkane solvent to produce aminoalkyl para-hydroxyphenyl ketone | FINE ORGANICS LIMITED (GB) | 1994-01-04 | — | — | US | claimed |
| EP-0431871-A2 | A process for the preparation of ketones | FINE ORGANICS LIMITED (GB) | 1991-06-12 | — | — | EP | claimed |
| WO-2017072662-A1 | ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST | NOVARTIS AG (CH) | 2017-05-04 | — | — | WO | disclosed |
| WO-2016071856-A1 | AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE | NOVARTIS AG (CH) | 2016-05-12 | — | — | WO | disclosed |
| WO-2015189791-A1 | AURISTATIN DERIVATIVES AND CONJUGATES THEREOF | NOVARTIS AG (CH) | 2015-12-17 | — | — | WO | disclosed |
| US-20140302553-A1 | BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES | IRM LLC (BM) | 2014-10-09 | — | — | US | disclosed |
| CN-101855224-B | Equilibrative nucleoside transporter ENT1 inhibitors | JANSSEN PHARMACEUTICA NV | 2012-11-28 | — | — | CN | disclosed |
| CN-101855224-A | Equilibrative nucleoside transporter ENT 1 inhibitors | JANSSEN PHARMACEUTICA NV | 2010-10-06 | — | — | CN | disclosed |
| EP-0431871-B1 | A process for the preparation of ketones | FINE ORGANICS LTD (GB) | 1995-06-07 | — | — | EP | disclosed |
| US-5276191-A | Reacting phenol with a nitrile in presence of Lewis acid catalyst in nitroalkane solvent to produce aminoalkyl para-hydroxyphenyl ketone | FINE ORGANICS LIMITED (GB) | 1994-01-04 | — | — | US | disclosed |
| EP-0431871-A2 | A process for the preparation of ketones | FINE ORGANICS LIMITED (GB) | 1991-06-12 | — | — | EP | disclosed |
| EP-0431871-A2 | A process for the preparation of ketones | FINE ORGANICS LIMITED (GB) | 1991-06-12 | — | — | EP | disclosed |
| US-3987047-A | ANORETICS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-10-19 | — | — | US | disclosed |