Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 9/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL9056098 | 0.89 | TYMS (0.50) | TYMSPOLBCTSBPIK3CDPIK3R1 | |
| SCHEMBL9055802 | 0.87 | TYMS (0.52) | TYMSCTSBMAPTALDH1A1MAPK1 | |
| SCHEMBL9055527 | 0.85 | TYMS (0.54) | TYMSPOLBCTSBMAPTALDH1A1 | |
| SCHEMBL9054866 | 0.83 | TYMS (0.47) | TYMSPOLBPIK3CDPIK3R1PIK3CB | |
| SCHEMBL9054758 | 0.72 | HTR6 (0.48) | ALDH1A1MAPK1LMNA | |
| SCHEMBL9056780 | 0.71 | TYMS (0.50) | TYMSPOLBCTSBPIK3CDPIK3R1 | |
| SCHEMBL9508662 | 0.71 | TYMS (0.59) | TYMSPOLBMAPTALDH1A1MAPK1 | |
| SCHEMBL9055252 | 0.70 | POLB (0.42) | POLBCTSBMAPTALDH1A1MAPK1 | |
| SCHEMBL11811062 | 0.69 | TDP1 (0.55) | POLBCTSBMAPTALDH1A1GAA | |
| SCHEMBL9055020 | 0.69 | TDP1 (0.42) | POLBCTSBMAPTALDH1A1GAA |
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 |