Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.62 |
| ▸ | BRD4 | O60885 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | CASP1 | P29466 | 4/20 | 0.47 |
| ▸ | CASP7 | P55210 | 4/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.46 |
| ▸ | BCL2 | P10415 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9080093 | 0.77 | TYMS (1.00) | TYMSBRD4ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL9080571 | 0.74 | TYMS (0.79) | TYMSBRD4ALDH1A1MAPTLMNA | |
| SCHEMBL9078891 | 0.73 | CDK5 (0.67) | BRD4ALDH1A1MAPTLMNAPKM | |
| Hydrochloric Acid SCHEMBL9080391 | 0.73 | ALDH1A1 (0.59) | BRD4ALDH1A1MAPTLMNAPKM | |
| SCHEMBL9702076 | 0.72 | TYMS (0.75) | TYMSBRD4ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL9702399 | 0.72 | ALDH1A1 (0.62) | BRD4ALDH1A1MAPTLMNAPKM | |
| SCHEMBL29774545 | 0.71 | ALDH1A1 (0.50) | BRD4ALDH1A1MAPTLMNAPKM | |
| SCHEMBL11696687 | 0.71 | KDM4E (0.56) | TYMSALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL25838097 | 0.70 | BRD4 (0.56) | BRD4ALDH1A1MAPTLMNAPKM | |
| SCHEMBL11687308 | 0.69 | ALDH1A1 (0.53) | BRD4ALDH1A1MAPTLMNAPKM |
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-1992005153-A1 | ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1992-04-02 | — | — | WO | disclosed |