Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.48 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12172745 | 0.81 | TSHR (0.71) | KMT2AMEN1TDP1ALDH1A1ALOX15 | |
| SCHEMBL21561693 | 0.81 | TP53 (0.58) | TP53KMT2AALDH1A1ALOX15TSHR | |
| SCHEMBL29370283 | 0.81 | TSHR (0.71) | KMT2AMEN1TDP1ALDH1A1ALOX15 | |
| Phthalic Acid SCHEMBL4430760 | 0.80 | ALDH1A1 (0.70) | KMT2ANPC1RAB9AALDH1A1ALOX15 | |
| SCHEMBL5933377 | 0.77 | TDP1 (0.66) | TP53KMT2AMEN1NPC1RAB9A | |
| SCHEMBL1827691 | 0.76 | TP53 (0.60) | TP53KMT2AMEN1TDP1ALDH1A1 | |
| Phthalic Acid SCHEMBL28192884 | 0.75 | TDP1 (0.70) | KMT2ANPC1RAB9ATDP1ALDH1A1 | |
| SCHEMBL5933364 | 0.75 | TDP1 (0.63) | TP53KMT2AMEN1NPC1RAB9A | |
| Phthalic Acid SCHEMBL3679549 | 0.74 | PLK1 (0.57) | KMT2AMEN1ALDH1A1ALOX15TSHR | |
| SCHEMBL6841901 | 0.74 | ALDH1A1 (0.62) | KMT2AMEN1NPC1RAB9ATDP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1981831-A2 | KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF | Vaidya, Niteen A. (US) | 2008-10-22 | — | — | EP | claimed |
| WO-2007092264-A2 | KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF | VAIDYA NITEEN A (US) | 2007-08-16 | — | — | WO | claimed |
| EP-3189039-A1 | NOVEL CRYSTALLINE FORMS OF A BACE INHIBITOR, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2017-07-12 | — | — | EP | disclosed |
| WO-2016053767-A1 | NOVEL CRYSTALLINE FORMS OF A BACE INHIBITOR, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2016-04-07 | — | — | WO | disclosed |
| WO-2016025364-A1 | NOVEL CRYSTALLINE FORMS OF A BACE INHIBITOR, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2016-02-18 | — | — | WO | disclosed |
| WO-2009094457-A2 | SUBSTITUTED BENZHYDRYLETHERS | AUSPEX PHARMACEUTICALS (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2008151179-A2 | SUBSTITUTED PHENETHYLAMINES | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-12-11 | — | — | WO | disclosed |
| EP-1981831-A2 | KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF | Vaidya, Niteen A. (US) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007092264-A2 | KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF | VAIDYA NITEEN A (US) | 2007-08-16 | — | — | WO | disclosed |