Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.64 |
| ▸ | XIAP | P98170 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28291173 | 1.00 | TAAR1 (0.64) | TAAR1XIAPNPC1MEN1KMT2A | |
| SCHEMBL11643107 | 0.90 | XIAP (0.68) | TAAR1XIAPKMT2AALDH1A1LTA4H | |
| SCHEMBL11645266 | 0.90 | MEN1 (0.55) | TAAR1XIAPNPC1MEN1KMT2A | |
| SCHEMBL11646738 | 0.89 | CA1 (0.58) | TAAR1XIAPMEN1KMT2ALMNA | |
| SCHEMBL11641191 | 0.87 | TAAR1 (0.51) | TAAR1XIAPNPC1MEN1KMT2A | |
| SCHEMBL8972648 | 0.85 | NPC1 (0.53) | TAAR1NPC1MEN1KMT2ALMNA | |
| SCHEMBL26437138 | 0.85 | TAAR1 (0.64) | TAAR1XIAPNPC1MEN1KMT2A | |
| SCHEMBL5227347 | 0.84 | ALDH1A1 (0.61) | NPC1MEN1KMT2ALMNAALDH1A1 | |
| SCHEMBL15244875 | 0.84 | TAAR1 (0.86) | TAAR1XIAPMEN1KMT2AALDH1A1 | |
| SCHEMBL11744810 | 0.82 | MEN1 (0.60) | NPC1MEN1KMT2ALMNAALDH1A1 |
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-2013196-A2 | DISUBSTITUTED ANILINE COMPOUNDS | Merck & Co., Inc. (US) | 2009-01-14 | — | — | EP | claimed |
| WO-2007127137-A2 | DISUBSTITUTED ANILINE COMPOUNDS | MERCK & CO., INC. (US) | 2007-11-08 | — | — | WO | claimed |
| EP-1054882-A1 | CONDENSED HETEROCYCLIC SYSTEM DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Aventis Pharma S.A. (FR) | 2000-11-29 | — | — | EP | disclosed |
| WO-1999041248-A1 | CONDENSED HETEROCYCLIC SYSTEM DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | AVENTIS PHARMA S.A. (FR) | 1999-08-19 | — | — | WO | disclosed |