Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ESR1 | P03372 | 3/20 | 0.50 |
| ▸ | KDR | P35968 | 2/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | STS | P08842 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20267214 | 0.89 | ALDH1A1 (0.50) | ALDH1A1ESR1KDRCHRM1TSHR | |
| SCHEMBL403261 | 0.88 | CA12 (0.51) | ALDH1A1ESR1KDRKDM4ELMNA | |
| SCHEMBL20267136 | 0.84 | ALDH1A1 (0.51) | ALDH1A1ESR1KDRCHRM1TSHR | |
| SCHEMBL20267427 | 0.84 | ALDH1A1 (0.51) | ALDH1A1ESR1KDRCHRM1TSHR | |
| SCHEMBL5803819 | 0.82 | ALDH1A1 (0.59) | ALDH1A1ESR1KDRCHRM1TSHR | |
| SCHEMBL197395 | 0.80 | NOTUM (0.62) | ALDH1A1KDRTSHRKDM4ELMNA | |
| SCHEMBL27825146 | 0.78 | ALDH1A1 (0.54) | ALDH1A1ESR1KDRCHRM1TSHR | |
| SCHEMBL19668025 | 0.77 | MEN1 (0.61) | KDRKDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL30991460 | 0.77 | NPFFR2 (0.50) | ALDH1A1ESR1KDRLMNANPFFR2 | |
| SCHEMBL20702651 | 0.77 | NPFFR2 (0.50) | ALDH1A1ESR1KDRLMNANPFFR2 |
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-3551633-A1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | Leo Pharma A/S (DK) | 2019-10-16 | — | — | EP | claimed |
| WO-2018108230-A1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2018-06-21 | — | — | WO | claimed |