Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP14 | P50281 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28126564 | 0.80 | ALDH1A1 (0.52) | CA12CA14CA2MMP2MMP9 | |
| SCHEMBL11236986 | 0.76 | CA12 (0.51) | CA12CA14CA2MMP2MMP9 | |
| SCHEMBL7567033 | 0.74 | CA12 (0.53) | CA12CA14CA2MMP2MMP9 | |
| SCHEMBL10989823 | 0.73 | CYP2C19 (0.31) | CYP2C19 | |
| SCHEMBL5440741 | 0.72 | TDP1 (0.43) | CA12ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL3387199 | 0.72 | KMT2A (0.57) | ALDH1A1CYP3A4HSD17B10TP53HPGD | |
| SCHEMBL29067534 | 0.72 | CA12 (0.47) | CA12CA14CA2MMP2MMP9 | |
| SCHEMBL3300249 | 0.70 | CA12 (0.45) | CA12CA14CA2MMP2MMP9 | |
| SCHEMBL29078124 | 0.70 | ALDH1A1 (0.46) | CA2ALDH1A1CYP3A4HSD17B10HPGD | |
| SCHEMBL11767973 | 0.70 | MEN1 (0.49) | CA12CA14CA2MMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116535418-A | Synthesis method and application of chiral N- (1-substituted-allyl) amine | 西安交通大学 | 2023-08-04 | — | — | CN | disclosed |
| EP-0318234-B1 | IMPROVEMENTS IN OR RELATING TO SELECTIVE SEROTONIN UPTAKE INHIBITORS | ELI LILLY AND COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| US-4876282-A | ANTIDEPRESSANT, DIETETICS, ANTIALCOHOLISM AGENT | ELI LILLY AND COMPANY (US) | 1989-10-24 | — | — | US | disclosed |
| US-4876282-A | ANTIDEPRESSANT, DIETETICS, ANTIALCOHOLISM AGENT | ELI LILLY AND COMPANY (US) | 1989-10-24 | — | — | US | disclosed |
| EP-0318234-A2 | Improvements in or relating to selective serotonin uptake inhibitors | ELI LILLY AND COMPANY (US) | 1989-05-31 | — | — | EP | disclosed |