Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 2/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.43 |
| ▸ | CHKA | P35790 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL273503 | 0.94 | ADRA2C (0.53) | ADRA2CHRH4ADRB1ALDH1A1MAPT | |
| SCHEMBL23113436 | 0.89 | ADRB1 (0.53) | ADRB1ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL1603395 | 0.86 | ADRB1 (0.53) | ADRB1ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL7784808 | 0.86 | ALDH1A1 (0.46) | ADRA2CHRH4ADRB1ALDH1A1MAPT | |
| SCHEMBL2051137 | 0.84 | ADRB1 (0.51) | ADRB1ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL10104302 | 0.84 | ADRB1 (0.45) | HRH4ADRB1ALDH1A1CHKAMET | |
| SCHEMBL12968839 | 0.82 | ADRB1 (0.61) | ADRA2CADRB1ALDH1A1MAPTKDM4E | |
| SCHEMBL20568131 | 0.78 | IDO1 (0.47) | ADRB1ALDH1A1MAPTKMT2AMAPK1 | |
| SCHEMBL2311467 | 0.78 | GAA (0.53) | ADRB1ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL16904563 | 0.78 | ADRB1 (0.45) | ADRA2CADRB1ALDH1A1MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3630778-A1 | NOVEL INHIBITORS OF MAP4K1 | Ichnos Sciences SA (CH) | 2020-04-08 | — | — | EP | disclosed |
| WO-2018215668-A1 | NOVEL INHIBITORS OF MAP4K1 | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-11-29 | — | — | WO | disclosed |