Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 8/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.34 |
| ▸ | CNR1 | P21554 | 3/20 | 0.32 |
| ▸ | CNR2 | P34972 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL9701576 | 0.88 | PTGDR2 (0.33) | PTGDR2AKR1B1CNR1CNR2MEN1 | |
| SCHEMBL9701305 | 0.87 | CNR1 (0.39) | PTGDR2AKR1B1CNR1CNR2MEN1 | |
| SCHEMBL9701429 | 0.87 | CNR1 (0.39) | PTGDR2AKR1B1CNR1CNR2MEN1 | |
| SCHEMBL9700412 | 0.86 | DRD2 (0.33) | PTGDR2AKR1B1CNR1CNR2MEN1 | |
| SCHEMBL9700129 | 0.85 | CNR1 (0.38) | CNR1CNR2MEN1CYP3A4CYP2C9 | |
| SCHEMBL9728392 | 0.84 | CNR1 (0.38) | PTGDR2AKR1B1CNR1CNR2MEN1 | |
| SCHEMBL9700297 | 0.82 | CNR1 (0.36) | CNR1CNR2MEN1CYP3A4CYP2C9 | |
| SCHEMBL9701684 | 0.81 | CNR1 (0.36) | CNR1CNR2MEN1CYP3A4CYP2C9 | |
| SCHEMBL9701680 | 0.80 | — | — | |
| SCHEMBL9700074 | 0.74 | TUBB4A (0.33) | PTGDR2AKR1B1CNR1CNR2MEN1 |
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 |