Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ATF4 | P18848 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20773287 | 0.82 | MEN1 (0.46) | MEN1KMT2AATF4HPGDEPHX1 | |
| SCHEMBL2472085 | 0.74 | MEN1 (0.61) | MEN1KMT2AATF4HPGDALDH1A1 | |
| SCHEMBL28045406 | 0.74 | MEN1 (0.57) | MEN1KMT2AHPGDALDH1A1CYP2C9 | |
| SCHEMBL11806339 | 0.72 | NPSR1 (0.43) | MEN1KMT2AATF4HPGDEPHX1 | |
| SCHEMBL1059938 | 0.70 | MEN1 (0.61) | MEN1KMT2AHPGDCYP2C9CYP2C19 | |
| SCHEMBL10622036 | 0.70 | MEN1 (0.55) | MEN1KMT2AHPGDALDH1A1CYP2C9 | |
| SCHEMBL10622033 | 0.69 | MEN1 (0.59) | MEN1KMT2AHPGDALDH1A1CYP2C9 | |
| Water SCHEMBL29937078 | 0.69 | MEN1 (0.59) | MEN1KMT2AHPGDCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL27651690 | 0.69 | MEN1 (0.59) | MEN1KMT2AHPGDCYP2C9CYP2C19 | |
| SCHEMBL9139773 | 0.68 | SRC (0.57) | MEN1KMT2AHPGDALDH1A1POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111051325-A | Spirothiacyclobutanenucleosides | 詹森药业有限公司 | 2020-04-21 | — | — | CN | disclosed |