Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 2/20 | 0.46 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26522392 | 0.81 | PYCR1 (0.44) | PYCR1TAAR1ALDH1A1LMNAHRH3 | |
| SCHEMBL9804910 | 0.80 | TSHR (0.52) | RIPK1PYCR1TAAR1ALDH1A1AOC3 | |
| Hydrochloric Acid SCHEMBL9804592 | 0.78 | TSHR (0.50) | RIPK1PYCR1TAAR1ALDH1A1AOC3 | |
| Hydrochloric Acid SCHEMBL9804606 | 0.77 | PYCR1 (0.46) | PYCR1TAAR1ALDH1A1AOC3IDO1 | |
| SCHEMBL10294050 | 0.74 | RIPK1 (0.50) | RIPK1PYCR1TAAR1ALDH1A1AOC3 | |
| SCHEMBL3191532 | 0.72 | PYCR1 (0.67) | RIPK1PYCR1TAAR1ALDH1A1AOC3 | |
| SCHEMBL8289786 | 0.72 | HRH3 (0.64) | RIPK1PYCR1TAAR1ALDH1A1AOC3 | |
| SCHEMBL30093198 | 0.72 | PYCR1 (0.67) | RIPK1PYCR1TAAR1ALDH1A1AOC3 | |
| SCHEMBL20847571 | 0.72 | PYCR1 (0.43) | RIPK1PYCR1TAAR1ALDH1A1AOC3 | |
| SCHEMBL13322430 | 0.69 | PYCR1 (0.52) | RIPK1PYCR1TAAR1ALDH1A1AOC3 |
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-2021094209-A1 | SUBSTITUTED PYRROLO TRIAZINE CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN EP3 RECEPTOR ANTAGONISTS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-05-20 | — | — | WO | disclosed |