Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4390169 | 0.73 | ESR1 (0.40) | MRGPRX4ESR2ESR1FTOGAA | |
| Phenol SCHEMBL28303980 | 0.70 | ALDH1A1 (0.47) | MRGPRX4ESR2ESR1ALDH1A1TSHR | |
| SCHEMBL12251298 | 0.69 | TP53 (0.49) | MRGPRX4GAACES2CES1MAPT | |
| SCHEMBL14280807 | 0.69 | GRIN2D (0.42) | ESR2ESR1GAAALDH1A1TSHR | |
| SCHEMBL22897484 | 0.68 | GAA (0.44) | ESR2ESR1GAAALDH1A1GRIN2D | |
| SCHEMBL2461140 | 0.68 | ESR2 (0.36) | ESR2ESR1FTOGAAALDH1A1 | |
| SCHEMBL17594923 | 0.68 | SMN1; SMN2 (0.50) | MRGPRX4ALDH1A1TSHRTDP1KMT2A | |
| SCHEMBL15275530 | 0.67 | ESR2 (0.75) | ESR2ESR1GAATSHRGRIN2D | |
| SCHEMBL10910459 | 0.67 | ESR2 (0.68) | ESR2ESR1ALDH1A1TSHRCTSL | |
| SCHEMBL27192431 | 0.67 | ALDH1A1 (0.36) | ESR2ESR1GAAALDH1A1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014119617-A1 | AMIDINE COMPOUND AND SALT THEREOF | 富山化学工業株式会社 (JP) | 2014-08-07 | — | — | WO | disclosed |