Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.54 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.50 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18559915 | 1.00 | KDM1A (0.54) | KDM1AACHEESR2DEGS1CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL268752 | 0.98 | KDM1A (0.52) | KDM1AACHEESR2DEGS1CYP3A4 | |
| SCHEMBL11358213 | 0.88 | ACHE (0.48) | KDM1AACHEESR2DEGS1CYP3A4 | |
| SCHEMBL10884060 | 0.83 | ESR2 (0.55) | KDM1AACHEESR2DEGS1CYP3A4 | |
| SCHEMBL28189819 | 0.83 | ACHE (0.55) | KDM1AACHEESR2DEGS1CYP3A4 | |
| SCHEMBL27745696 | 0.83 | ESR2 (0.55) | KDM1AACHEESR2DEGS1CYP3A4 | |
| SCHEMBL9135013 | 0.81 | KDM1A (0.60) | KDM1AACHEESR2DEGS1CYP3A4 | |
| SCHEMBL9135017 | 0.81 | KDM1A (0.60) | KDM1AACHEESR2DEGS1CYP3A4 | |
| SCHEMBL16000745 | 0.78 | ESR2 (0.54) | KDM1AACHEESR2CYP3A4ALDH1A1 | |
| SCHEMBL13484240 | 0.78 | ESR2 (0.44) | KDM1AACHEESR2ALDH1A1ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017106556-A1 | TANK-BINDING KINASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2017-06-22 | — | — | WO | disclosed |
| EP-2855419-B1 | NEW INDANYLOXYPHENYLCYCLOPROPANECARB OXYLIC ACIDS | BOEHRINGER INGELHEIM INT (DE) | 2017-03-01 | — | — | EP | disclosed |