Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | PRKDC | P78527 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8964813 | 0.89 | ALDH1A1 (0.51) | ALDH1A1TDP1MAPTCYP3A4L3MBTL1 | |
| SCHEMBL17670218 | 0.88 | TDP1 (0.50) | ALDH1A1TDP1MAPTCYP3A4L3MBTL1 | |
| SCHEMBL7970512 | 0.83 | RAB9A (0.53) | ALDH1A1TDP1MAPTKDM4ECYP3A4 | |
| SCHEMBL12844721 | 0.83 | TTR (0.51) | ALDH1A1MAPTCYP3A4MEN1KMT2A | |
| SCHEMBL15461976 | 0.82 | ALDH1A1 (0.69) | ALDH1A1TDP1MAPTCYP3A4HSD17B10 | |
| SCHEMBL7653302 | 0.81 | TDP1 (0.50) | ALDH1A1TDP1MAPTCYP3A4L3MBTL1 | |
| 1,2-Dimethoxybenzene SCHEMBL20540103 | 0.80 | ALDH1A1 (0.71) | ALDH1A1TDP1MAPTKDM4ECYP3A4 | |
| SCHEMBL22007056 | 0.80 | ALDH1A1 (0.67) | ALDH1A1TDP1MAPTCYP3A4HSD17B10 | |
| SCHEMBL29021720 | 0.80 | ALDH1A1 (0.43) | ALDH1A1TDP1CYP3A4L3MBTL1MEN1 | |
| SCHEMBL20581385 | 0.80 | CYP11B1 (0.61) | ALDH1A1MAPTKDM4EL3MBTL1HSD17B10 |
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-1937238-A1 | NOVEL NITROCATECHOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY | Revotar Biopharmaceuticals AG (DE) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007039114-A1 | NOVEL NITROCATECHOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY | REVOTAR BIOPHARMACEUTICALS AG (DE) | 2007-04-12 | — | — | WO | disclosed |
| US-6194439-B1 | ANTICANCER AGENT | PFIZER INC. | 2001-02-27 | — | — | US | disclosed |
| EP-0586608-A1 | TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS | PFIZER INC. (US) | 1994-03-16 | — | — | EP | disclosed |
| WO-1992021660-A1 | TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS | PFIZER, INC. (US) | 1992-12-10 | — | — | WO | disclosed |