Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 14/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30062012 | 0.92 | EPHX1 (0.44) | EPHX1ACHENPC1MAPTRAB9A | |
| SCHEMBL1954999 | 0.89 | EPHX1 (0.42) | EPHX1ACHENPC1MAPTRAB9A | |
| SCHEMBL8303913 | 0.86 | EPHX1 (0.40) | EPHX1ACHENPC1MAPTRAB9A | |
| SCHEMBL4722846 | 0.85 | ALDH1A1 (0.41) | EPHX1ACHENPC1MAPTRAB9A | |
| SCHEMBL15312720 | 0.84 | EPHX1 (0.41) | EPHX1ACHENPC1MAPTRAB9A | |
| SCHEMBL1952344 | 0.84 | EPHX1 (0.49) | EPHX1ACHESMN1; SMN2MAPK1 | |
| SCHEMBL1954820 | 0.83 | EPHX1 (0.51) | EPHX1ACHESMN1; SMN2MAPK1 | |
| SCHEMBL1954712 | 0.83 | EPHX1 (0.51) | EPHX1ACHESMN1; SMN2MAPK1 | |
| SCHEMBL1954304 | 0.83 | EPHX1 (0.51) | EPHX1ACHESMN1; SMN2MAPK1 | |
| SCHEMBL1955076 | 0.83 | EPHX1 (0.51) | EPHX1ACHESMN1; SMN2MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2185537-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | Pfizer Inc. (US) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009016498-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC. (US) | 2009-02-05 | — | — | WO | disclosed |
| EP-0789571-A4 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO INC (US) | 1999-04-14 | — | — | EP | disclosed |
| EP-0789571-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | Merck & Co., Inc. (US) | 1997-08-20 | — | — | EP | disclosed |