Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20177564 | 0.79 | KDM1A (0.32) | KDM1A | |
| SCHEMBL20177515 | 0.68 | SMN1; SMN2 (0.35) | ALDH1A1SMN1; SMN2BRD4MAPK1MEN1 | |
| SCHEMBL20177522 | 0.67 | BRD4 (0.41) | MAPTALDH1A1BRD4CYP3A4CYP2C9 | |
| Acetic Acid SCHEMBL6476155 | 0.66 | GAA (0.43) | KDM4EMAPTALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL28939720 | 0.66 | BRD4 (0.43) | ALDH1A1LMNABRD4CYP3A4CYP2C9 | |
| SCHEMBL28939724 | 0.66 | BRD4 (0.43) | ALDH1A1LMNABRD4CYP3A4CYP2C9 | |
| SCHEMBL29616904 | 0.65 | BRD4 (0.41) | KDM4EMAPTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL28736993 | 0.65 | BRD4 (0.41) | KDM4EMAPTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL28736992 | 0.65 | BRD4 (0.41) | KDM4EMAPTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL457928 | 0.63 | RAB9A (0.49) | KDM4EMAPTALDH1A1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |