Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.42 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.42 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.42 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.42 |
| ▸ | GRM6 | O15303 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | APEX1 | P27695 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7638766 | 0.83 | VCAM1 (0.41) | ALDH1A1VCAM1TDP1GRIA1GRIA2 | |
| SCHEMBL29626558 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TDP1GPR35HPGDPDE10A | |
| SCHEMBL187697 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TDP1GPR35HPGDPDE10A | |
| SCHEMBL6742110 | 0.80 | VCAM1 (0.46) | ALDH1A1VCAM1TDP1GRIA1GRIA2 | |
| SCHEMBL11811062 | 0.79 | TDP1 (0.55) | ALDH1A1VCAM1TDP1GRIA1GRIA2 | |
| SCHEMBL29382907 | 0.79 | VCAM1 (0.56) | ALDH1A1VCAM1TDP1GRIA1GRIA2 | |
| SCHEMBL56638 | 0.79 | VCAM1 (0.56) | ALDH1A1VCAM1TDP1GRIA1GRIA2 | |
| SCHEMBL8535897 | 0.78 | ALDH1A1 (0.51) | ALDH1A1VCAM1TDP1GRIA1GRIA2 | |
| SCHEMBL220318 | 0.78 | VCAM1 (0.47) | ALDH1A1VCAM1TDP1GRIA1GRIA2 | |
| SCHEMBL30694393 | 0.78 | VCAM1 (0.47) | ALDH1A1VCAM1TDP1GRIA1GRIA2 |
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 6 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-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 |
| 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 |
| WO-1996002502-A1 | PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1996-02-01 | — | — | WO | disclosed |