Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | PLAU | P00749 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11247310 | 0.97 | ALDH1A1 (0.65) | CYP1A2ALDH1A1HPGDHSD17B10CYP2C19 | |
| SCHEMBL2603411 | 0.82 | CYP1A2 (0.67) | CYP1A2ALDH1A1HPGDHSD17B10CYP2C19 | |
| SCHEMBL2774094 | 0.82 | SMN1; SMN2 (0.72) | CYP1A2ALDH1A1HPGDHSD17B10CYP2C19 | |
| SCHEMBL1374066 | 0.81 | ALDH1A1 (0.64) | ALDH1A1HSD17B10NPC1RAB9ALMNA | |
| SCHEMBL31427513 | 0.80 | ALDH1A1 (0.69) | CYP1A2ALDH1A1HPGDHSD17B10CYP2C19 | |
| SCHEMBL7173547 | 0.80 | ALDH1A1 (0.69) | CYP1A2ALDH1A1HPGDHSD17B10CYP2C19 | |
| SCHEMBL545959 | 0.80 | KDM4E (0.66) | CYP1A2ALDH1A1HPGDHSD17B10CYP2C19 | |
| SCHEMBL29242089 | 0.80 | NPC1 (0.60) | ALDH1A1HPGDHSD17B10KDM4ENPC1 | |
| SCHEMBL12532275 | 0.79 | NPC1 (0.64) | CYP1A2ALDH1A1HPGDHSD17B10CYP2C19 | |
| SCHEMBL2644205 | 0.79 | ALDH1A1 (0.58) | CYP1A2ALDH1A1HPGDHSD17B10CYP2C19 |
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 |