Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | LMNA | P02545 | 6/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.55 |
| ▸ | BRD4 | O60885 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | ATP6V1B2 | P21281 | 1/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.53 |
| ▸ | EDNRA | P25101 | 1/20 | 0.53 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.53 |
| ▸ | TOP2A | P11388 | 5/20 | 0.52 |
| ▸ | TOP2B | Q02880 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL9785229 | 0.99 | ALDH1A1 (0.54) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| Water SCHEMBL9785232 | 0.99 | ALDH1A1 (0.54) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL8942177 | 0.90 | LMNA (0.47) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL7228568 | 0.90 | ALDH1A1 (0.45) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL9094359 | 0.90 | ALDH1A1 (0.55) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL9097124 | 0.89 | ALDH1A1 (0.54) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL9786221 | 0.89 | ALDH1A1 (0.47) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL9526321 | 0.88 | ALDH1A1 (0.49) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL9775863 | 0.87 | ALDH1A1 (0.52) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL9775916 | 0.87 | ALDH1A1 (0.52) | ALDH1A1LMNAKDM4EHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5004745-A | Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them | LABORATOIRE ROGER BELLON (FR) | 1991-04-02 | — | — | US | disclosed |
| US-4990515-A | Chemical intermediates | RHONE-POULENC SANTE (FR) | 1991-02-05 | — | — | US | disclosed |