Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2334848 | 0.89 | ALDH1A1 (0.46) | MEN1KMT2AHPGDTDP1KDM4E | |
| SCHEMBL3629772 | 0.80 | TSHR (0.46) | MEN1KMT2AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL4608397 | 0.80 | KDM4E (0.49) | MEN1KMT2AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL3634679 | 0.78 | HSD17B10 (0.42) | MEN1KMT2AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL11472000 | 0.77 | MEN1 (0.46) | MEN1KMT2AHPGDTDP1ALDH1A1 | |
| SCHEMBL28942768 | 0.77 | SMN1; SMN2 (0.46) | MEN1KMT2AHPGDTDP1KDM4E | |
| SCHEMBL10514703 | 0.77 | MAPK1 (0.48) | MEN1KMT2AHPGDKDM4EALDH1A1 | |
| SCHEMBL3632334 | 0.76 | MAPT (0.40) | MEN1KMT2AHPGDKDM4EALDH1A1 | |
| SCHEMBL22473881 | 0.76 | ALDH1A1 (0.59) | MEN1KMT2AHPGDKDM4EALDH1A1 | |
| SCHEMBL622329 | 0.75 | MAPT (0.61) | MEN1KMT2AHPGDTDP1ALDH1A1 |
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-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | disclosed |