Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | HTR5A | P47898 | 1/20 | 0.51 |
| ▸ | HTR6 | P50406 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13832405 | 0.83 | ALDH1A1 (0.59) | ALDH1A1HTR1AHTR7HTR2BHTR5A | |
| SCHEMBL1961585 | 0.82 | ALDH1A1 (0.67) | ALDH1A1HTR1AHTR2CHTR7HTR2B | |
| SCHEMBL30833064 | 0.82 | ALDH1A1 (0.67) | ALDH1A1HTR1AHTR2CHTR7HTR2B | |
| SCHEMBL14924466 | 0.81 | HTR7 (0.52) | ALDH1A1HTR1AHTR2CHTR7HTR2B | |
| Hydrochloric Acid SCHEMBL27621161 | 0.81 | ALDH1A1 (0.65) | ALDH1A1HTR1AHTR2CHTR7HTR2B | |
| SCHEMBL27814635 | 0.80 | HRH3 (0.54) | HTR1AHTR2CHTR7HTR2BHTR5A | |
| SCHEMBL5831938 | 0.80 | ALDH1A1 (0.74) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL11648164 | 0.79 | TAAR1 (0.57) | ALDH1A1HTR1AHTR2CHTR7HTR2B | |
| SCHEMBL3151848 | 0.79 | CYP19A1 (0.61) | ALDH1A1ACHEPKMALOX15MEN1 | |
| SCHEMBL273470 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 |
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-2585470-B1 | NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY | HANMI SCIENCE CO LTD (KR) | 2017-01-25 | — | — | EP | disclosed |
| EP-2975042-A1 | NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY | Boehringer Ingelheim International GmbH (DE) | 2016-01-20 | — | — | EP | disclosed |