Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17896025 | 0.99 | PARP1 (0.41) | PARP1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL17895900 | 0.84 | KDM4E (0.41) | PARP1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL17901954 | 0.84 | PARP1 (0.41) | PARP1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL17895979 | 0.84 | PARP1 (0.44) | PARP1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL17895837 | 0.84 | PARP1 (0.41) | PARP1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL17896134 | 0.84 | KDM4E (0.41) | PARP1ALDH1A1KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL17896014 | 0.83 | PARP1 (0.43) | PARP1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL17895966 | 0.82 | KDM4E (0.41) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL17896028 | 0.81 | KDM4E (0.40) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17895862 | 0.79 | KMT2A (0.40) | PARP1ALDH1A1KDM4ECYP2C19ALOX15 |
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-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | claimed |