Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HPD | P32754 | 2/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL20060136 | 0.79 | MEN1 (0.37) | ALDH1A1 | |
| SCHEMBL20060020 | 0.75 | MEN1 (0.30) | ALDH1A1 | |
| SCHEMBL20060207 | 0.75 | KMT2A (0.35) | CMA1ALDH1A1HPGDKEAP1HDAC2 | |
| SCHEMBL20060177 | 0.73 | HPD (0.36) | ALDH1A1MAPTHPDNPC1TSHR | |
| SCHEMBL20059918 | 0.73 | MEN1 (0.41) | MAPTHPGDTAAR1TSHR | |
| SCHEMBL20060195 | 0.70 | MEN1 (0.40) | ALDH1A1HTT | |
| SCHEMBL20060143 | 0.67 | ALDH1A1 (0.36) | ALDH1A1PKM | |
| SCHEMBL20060196 | 0.66 | CTSD (0.39) | ALDH1A1MAPTHPGDHPDNPC1 | |
| SCHEMBL20060140 | 0.65 | — | — | |
| SCHEMBL27503416 | 0.65 | ALDH1A1 (0.45) | ALDH1A1MAPTPKMMAPK1TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2595987-B1 | NEW AMINOPYRAZOLOQUINAZOLINES | BOEHRINGER INGELHEIM INT (DE) | 2018-04-18 | — | — | EP | disclosed |