Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 9/20 | 0.52 |
| ▸ | CTSB | P07858 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9055527 | 0.88 | TYMS (0.54) | TYMSCTSBALDH1A1MAPTMAPK1 | |
| SCHEMBL9055262 | 0.87 | TYMS (0.47) | TYMSCTSBALDH1A1MAPTMAPK1 | |
| SCHEMBL9056780 | 0.85 | TYMS (0.50) | TYMSCTSBALDH1A1MAPT | |
| SCHEMBL9056098 | 0.84 | TYMS (0.50) | TYMSCTSBALDH1A1MAPTMAPK1 | |
| SCHEMBL9055272 | 0.80 | CTSB (0.40) | CTSBALDH1A1MAPTL3MBTL1MEN1 | |
| SCHEMBL9054866 | 0.73 | TYMS (0.47) | TYMSALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL9054758 | 0.69 | HTR6 (0.48) | ALDH1A1MAPK1SMN1; SMN2CYP2D6 | |
| SCHEMBL9056927 | 0.68 | TYMS (1.00) | TYMSMAPTKDM4E | |
| SCHEMBL9508662 | 0.68 | TYMS (0.59) | TYMSALDH1A1MAPTMAPK1MEN1 | |
| SCHEMBL11811062 | 0.66 | TDP1 (0.55) | CTSBALDH1A1MAPTMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5545744-A | Cyano naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-08-13 | — | — | US | disclosed |
| US-5498727-A | Preparation of benzindole compounds from naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1996002502-A1 | PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1996-02-01 | — | — | WO | disclosed |