Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9054866 | 0.88 | TYMS (0.47) | TYMSMAPTPOLBALDH1A1PIK3CD | |
| SCHEMBL9055802 | 0.85 | TYMS (0.52) | TYMSMAPTCTSBALDH1A1 | |
| SCHEMBL9055527 | 0.74 | TYMS (0.54) | TYMSMAPTCTSBPOLBALDH1A1 | |
| SCHEMBL9055262 | 0.71 | TYMS (0.47) | TYMSMAPTCTSBPOLBALDH1A1 | |
| SCHEMBL9056098 | 0.69 | TYMS (0.50) | TYMSMAPTCTSBPOLBALDH1A1 | |
| SCHEMBL9055272 | 0.69 | CTSB (0.40) | MAPTCTSBALDH1A1LMNA | |
| SCHEMBL9055031 | 0.67 | VCAM1 (0.49) | MAPTPOLBALDH1A1VCAM1 | |
| SCHEMBL9054766 | 0.67 | VCAM1 (0.42) | MAPTPOLBALDH1A1VCAM1LMNA | |
| SCHEMBL9055086 | 0.67 | TYMS (1.00) | TYMS | |
| SCHEMBL8103078 | 0.62 | MEN1 (0.40) | MAPTCTSBPOLBALDH1A1VCAM1 |
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 |