Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 7/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9056780 | 0.88 | TYMS (0.50) | TYMSPOLBPIK3CDPIK3R1PIK3CB | |
| SCHEMBL9055262 | 0.83 | TYMS (0.47) | TYMSPOLBPIK3CDPIK3R1PIK3CB | |
| SCHEMBL9055802 | 0.73 | TYMS (0.52) | TYMSMAPTMEN1CYP2D6CYP2C9 | |
| SCHEMBL9056098 | 0.72 | TYMS (0.50) | TYMSPOLBPIK3CDPIK3R1PIK3CB | |
| SCHEMBL9054862 | 0.70 | POLB (0.40) | POLBTP53MAPTMEN1GAA | |
| SCHEMBL9054766 | 0.70 | VCAM1 (0.42) | POLBMAPTMEN1CYP3A4KMT2A | |
| SCHEMBL9055031 | 0.70 | VCAM1 (0.49) | POLBMAPTCYP3A4ALDH1A1 | |
| SCHEMBL9055527 | 0.69 | TYMS (0.54) | TYMSPOLBMAPTMEN1GAA | |
| SCHEMBL9055010 | 0.65 | HTT (0.51) | POLBMAPTHTTKMT2ASMN1; SMN2 | |
| SCHEMBL9054893 | 0.64 | TYMS (1.00) | TYMSMAPTHTT |
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 |