Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | AQP1 | P29972 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.32 |
| ▸ | XIAP | P98170 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9699269 | 0.83 | NOTUM (0.38) | NOTUMCA2RIPK1 | |
| SCHEMBL9700327 | 0.82 | ADRA1D (0.38) | SLC6A2CYP2D6ADRA1DADRA1AADRA1B | |
| SCHEMBL9699339 | 0.82 | NOTUM (0.39) | NOTUMCA2RIPK1SLC6A2SLC6A4 | |
| SCHEMBL9701602 | 0.77 | ADRA2A (0.38) | NOTUMADRA1DADRA1AADRA1B | |
| SCHEMBL9699278 | 0.77 | NOTUM (0.36) | NOTUMADRA1DADRA1AADRA1B | |
| SCHEMBL9728710 | 0.77 | DRD2 (0.40) | NOTUM | |
| SCHEMBL9699340 | 0.74 | CYP2A13 (0.39) | NOTUM | |
| SCHEMBL9699323 | 0.71 | CXCR4 (0.36) | CYP2D6 | |
| SCHEMBL9699316 | 0.70 | HTR2A (0.33) | — | |
| SCHEMBL9700309 | 0.69 | NOTUM (0.38) | NOTUMCA2RIPK1ADRA1DADRA1A |
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 4 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 |