Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 14/20 | 1.00 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9054893 | 0.86 | TYMS (1.00) | TYMS | |
| SCHEMBL9056927 | 0.84 | TYMS (1.00) | TYMSHDAC4HDAC1HDAC6 | |
| SCHEMBL9055570 | 0.71 | TYMS (1.00) | TYMS | |
| SCHEMBL9055601 | 0.68 | TYMS (1.00) | TYMSHDAC1HDAC6 | |
| SCHEMBL9056780 | 0.67 | TYMS (0.50) | TYMS | |
| SCHEMBL9087202 | 0.66 | TYMS (1.00) | TYMSHDAC1HDAC6 | |
| SCHEMBL14613356 | 0.64 | UHRF1 (0.46) | TYMSHDAC4HDAC1HDAC6 | |
| SCHEMBL751470 | 0.60 | — | — | |
| SCHEMBL17286028 | 0.60 | CHRNB2 (0.49) | TYMSHDAC4HDAC1HDAC6 | |
| SCHEMBL21301004 | 0.59 | TYMS (0.41) | TYMSHDAC4HDAC1HDAC6 |
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 |