Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | PKLR | P30613 | 5/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL18754032 | 0.94 | PKLR (0.46) | ALDH1A1KDM4EPKLRPKMPRKAA2 | |
| SCHEMBL20192393 | 0.91 | PRKAA2 (0.51) | PRKAA2 | |
| SCHEMBL21650923 | 0.91 | PKLR (0.44) | ALDH1A1KDM4EPKLRPKMHSD17B10 | |
| SCHEMBL18753675 | 0.90 | NPC1 (0.51) | ALDH1A1KDM4EPKLRMEN1KMT2A | |
| SCHEMBL25948092 | 0.89 | ALDH1A1 (0.51) | ALDH1A1KDM4EHTTPKLRFAAH | |
| SCHEMBL25945947 | 0.88 | HTR1A (0.46) | ALDH1A1KDM4EHTTPKLRSMN1; SMN2 | |
| SCHEMBL18753462 | 0.88 | PKLR (0.44) | PKLRPKMPRKAA2 | |
| SCHEMBL20192354 | 0.88 | ABL1 (0.51) | ALDH1A1KDM4EHTTPKLRMEN1 | |
| SCHEMBL18753474 | 0.88 | PKLR (0.51) | ALDH1A1KDM4EHTTPKLRMEN1 | |
| SCHEMBL21985027 | 0.88 | ALDH1A1 (0.49) | ALDH1A1KDM4EHTTPKLRFAAH |
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-2448582-B1 | QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY | AGIOS PHARMACEUTICALS INC (US) | 2017-04-19 | — | — | EP | disclosed |