Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F12 | P00748 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL7263603 | 0.87 | SIRT1 (0.40) | — | |
| SCHEMBL20478673 | 0.81 | TAS1R3 (0.45) | ALDH1A1 | |
| SCHEMBL7537910 | 0.81 | KDM4E (0.39) | HTTMEN1KMT2AALDH1A1 | |
| SCHEMBL3900421 | 0.81 | TAS1R3 (0.45) | HTTALDH1A1 | |
| SCHEMBL6584363 | 0.80 | MMP2 (0.36) | SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL7258811 | 0.79 | ALDH1A1 (0.47) | HTTMEN1KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL20478916 | 0.78 | HTT (0.43) | HTTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL20478656 | 0.77 | DRD4 (0.50) | MEN1KMT2A | |
| SCHEMBL31567982 | 0.76 | ALDH1A1 (0.42) | MEN1KMT2AALDH1A1 | |
| SCHEMBL10750262 | 0.75 | SIRT1 (0.39) | MEN1KMT2AALDH1A1L3MBTL1 |
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 |