Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL112312 | 0.89 | KMT2A (0.44) | KMT2AMEN1THRBALDH1A1NPC1 | |
| SCHEMBL23501351 | 0.86 | MAPK1 (0.44) | KMT2AMEN1ALDH1A1HTR1AADRA1A | |
| SCHEMBL114458 | 0.86 | MAPK1 (0.44) | KMT2AMEN1ALDH1A1HTR1AADRA1A | |
| SCHEMBL23501346 | 0.84 | KMT2A (0.40) | KMT2AMEN1THRBALDH1A1HTR1A | |
| SCHEMBL23501357 | 0.82 | MAPK1 (0.38) | KMT2AALDH1A1HTR1AADRA1AMAPK1 | |
| SCHEMBL23501359 | 0.82 | MAPK1 (0.38) | KMT2AALDH1A1HTR1AADRA1AMAPK1 | |
| SCHEMBL23501303 | 0.81 | CYP3A4 (0.48) | KMT2AMEN1THRBALDH1A1HTR1A | |
| SCHEMBL7746342 | 0.80 | CA12 (0.53) | KMT2AMEN1THRBALDH1A1CA12 | |
| SCHEMBL23501237 | 0.80 | TDP1 (0.41) | KMT2AMEN1HTR1AADRA1AMAPK1 | |
| SCHEMBL23501328 | 0.77 | ALDH1A1 (0.53) | KMT2AALDH1A1HTR1AADRA1ACA12 |
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-2424842-A2 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | Aerie Pharmaceuticals, Inc. (US) | 2012-03-07 | — | — | EP | disclosed |
| EP-2424857-A1 | DUAL-ACTION INHIBITORS AND METHODS OF USING SAME | Aerie Pharmaceuticals, Inc. (US) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010127330-A1 | DUAL-ACTION INHIBITORS AND METHODS OF USING SAME | AERIE PHAMACEUTICALS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |
| WO-2010127329-A1 | DUAL-ACTION INHIBITORS AND METHODS OF USING SAME | AERIE PHARMACEUTICALS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |
| WO-2010126626-A2 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | AERIE PHARMACEUTICALS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |