Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31512564 | 0.83 | OGG1 (0.39) | CYP19A1ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL29090498 | 0.83 | RAB9A (0.51) | ALDH1A1MAPTNPC1RAB9AHPGD | |
| SCHEMBL2564307 | 0.83 | NPC1 (0.51) | CYP19A1ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL586754 | 0.82 | NPC1 (0.49) | CYP19A1ALDH1A1MAPTNPC1RAB9A | |
| Benzene SCHEMBL28160719 | 0.82 | NPC1 (0.49) | CYP19A1ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL3210075 | 0.80 | NPC1 (0.50) | ALDH1A1MAPTNPC1RAB9AHPGD | |
| SCHEMBL29172164 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MAPTNPC1RAB9AHPGD | |
| SCHEMBL14039814 | 0.79 | EGFR (0.44) | CYP19A1ESR1ESR2ALDH1A1MAPT | |
| SCHEMBL4612699 | 0.79 | NPSR1 (0.50) | ESR1ALDH1A1MAPTRAB9AHPGD | |
| SCHEMBL11565598 | 0.77 | MAPT (0.49) | ALDH1A1MAPTNPC1RAB9AHPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113402400-B | Synthesis method of desmethylvenlafaxine | 深圳市新浩瑞医药科技有限公司 | 2023-12-08 | — | — | CN | claimed |
| CN-113402400-A | Synthesis method of desvenlafaxine | 深圳市新浩瑞医药科技有限公司 | 2021-09-17 | — | — | CN | claimed |
| CN-113402400-B | Synthesis method of desmethylvenlafaxine | 深圳市新浩瑞医药科技有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-113402400-B | Synthesis method of desmethylvenlafaxine | 深圳市新浩瑞医药科技有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-113402400-A | Synthesis method of desvenlafaxine | 深圳市新浩瑞医药科技有限公司 | 2021-09-17 | — | — | CN | disclosed |
| CN-113402400-A | Synthesis method of desvenlafaxine | 深圳市新浩瑞医药科技有限公司 | 2021-09-17 | — | — | CN | disclosed |