Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11055734 | 0.84 | METAP1 (0.50) | DRD2DRD3METAP1CYP19A1HTR2A | |
| SCHEMBL11053451 | 0.76 | DRD2 (0.61) | DRD2DRD3CYP19A1ACHEPSEN1 | |
| Hydrochloric Acid SCHEMBL11222319 | 0.75 | DRD2 (0.59) | DRD2DRD3CYP19A1ACHEPSEN1 | |
| SCHEMBL11705261 | 0.69 | NOS3 (0.47) | DRD2DRD3ACHESIGMAR1 | |
| SCHEMBL11049946 | 0.65 | DRD2 (0.41) | DRD2DRD3CYP19A1HTR2A | |
| SCHEMBL31189156 | 0.63 | METAP1 (0.58) | DRD2DRD3METAP1CYP19A1HTR2A | |
| SCHEMBL316628 | 0.63 | METAP1 (0.58) | METAP1CYP19A1HTR2AHTR2CHTR2B | |
| SCHEMBL18535881 | 0.62 | METAP1 (0.66) | DRD2DRD3METAP1CYP19A1HTR2A | |
| SCHEMBL20541972 | 0.62 | DRD2 (0.74) | DRD2DRD3CYP19A1ACHEKDM1A | |
| SCHEMBL20542100 | 0.62 | DRD2 (0.74) | DRD2DRD3CYP19A1ACHEKDM1A |
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 |