Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 5/20 | 0.31 |
| ▸ | DRD4 | P21917 | 4/20 | 0.31 |
| ▸ | DRD5 | P21918 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9701602 | 0.89 | ADRA2A (0.38) | NOTUMDRD2DRD4 | |
| SCHEMBL9699278 | 0.89 | NOTUM (0.36) | NOTUMDRD2DRD4 | |
| SCHEMBL9728710 | 0.85 | DRD2 (0.40) | NOTUMDRD2DRD4DRD3 | |
| SCHEMBL9700270 | 0.83 | CYP2A13 (0.37) | CYP2A13NOTUMMAPTDRD2DRD4 | |
| SCHEMBL9728617 | 0.82 | ADRA1A (0.41) | — | |
| SCHEMBL9699323 | 0.81 | CXCR4 (0.36) | DRD2DRD3 | |
| SCHEMBL9699269 | 0.79 | NOTUM (0.38) | NOTUMDRD2 | |
| SCHEMBL10378979 | 0.77 | ADRA1A (0.38) | — | |
| SCHEMBL9700368 | 0.74 | NOTUM (0.37) | NOTUM | |
| SCHEMBL9699297 | 0.72 | NOTUM (0.38) | NOTUMDRD2DRD4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5112820-A | Vision defects | STERLING DRUG INC. (US) | 1992-05-12 | — | — | US | disclosed |
| US-5109135-A | 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates | STERLING DRUG INC. (US) | 1992-04-28 | — | — | US | disclosed |
| US-5066803-A | Chemical intermediates for analgesics | STERLING DRUG INC. (US) | 1991-11-19 | — | — | US | disclosed |
| WO-1990007505-A1 | 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES | STERLING DRUG INC. (US) | 1990-07-12 | — | — | WO | disclosed |
| US-4939138-A | 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |