Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.61 |
| ▸ | DRD3 | P35462 | 6/20 | 0.61 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.48 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.48 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.48 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.48 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.48 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.43 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.42 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.42 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11222319 | 0.98 | DRD2 (0.59) | DRD2DRD3PSEN1PSEN2APH1B | |
| SCHEMBL295336 | 0.82 | DRD2 (0.74) | DRD2DRD3CYP19A1DRD4MTNR1A | |
| SCHEMBL20542100 | 0.82 | DRD2 (0.74) | DRD2DRD3CYP19A1DRD4MTNR1A | |
| SCHEMBL20541972 | 0.82 | DRD2 (0.74) | DRD2DRD3CYP19A1DRD4MTNR1A | |
| SCHEMBL30579427 | 0.82 | DRD2 (0.74) | DRD2DRD3CYP19A1DRD4MTNR1A | |
| Hydrochloric Acid SCHEMBL1788371 | 0.80 | DRD2 (0.72) | DRD2DRD3CYP19A1DRD4MTNR1A | |
| SCHEMBL11047950 | 0.76 | DRD2 (0.43) | DRD2DRD3PSEN1PSEN2APH1B | |
| SCHEMBL11055734 | 0.76 | METAP1 (0.50) | DRD2DRD3CYP19A1ACHECYP26A1 | |
| SCHEMBL267102 | 0.76 | DRD2 (1.00) | DRD2DRD3CYP19A1DRD4MTNR1A | |
| SCHEMBL354006 | 0.76 | DRD2 (1.00) | DRD2DRD3CYP19A1DRD4MTNR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4454325-A | ANALGESICS | MERCK SHARP & DOHME I.A. CORP. (US) | 1984-06-12 | — | — | US | disclosed |
| US-4376779-A | N-(Substituted)-2-aza-2'-hydroxy-5,6-benzotricyclo[6.3.01,8.04,11 ] undecane centrally-acting analgesics | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1983-03-15 | — | — | US | disclosed |