Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MMP9 | P14780 | 4/20 | 0.37 |
| ▸ | MMP2 | P08253 | 3/20 | 0.37 |
| ▸ | MMP8 | P22894 | 3/20 | 0.37 |
| ▸ | MMP13 | P45452 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4174555 | 0.81 | CYP3A4 (0.49) | MAPTCYP3A4KDM4EALDH1A1CYP1A2 | |
| SCHEMBL21379715 | 0.79 | ALDH1A1 (0.43) | MAPTCYP3A4KDM4EALDH1A1CYP1A2 | |
| SCHEMBL5006824 | 0.74 | CYP3A4 (0.36) | MAPTCYP3A4KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7265185 | 0.70 | TSHR (0.38) | MAPTCYP3A4KDM4EALDH1A1CYP1A2 | |
| SCHEMBL11484020 | 0.70 | MMP2 (0.41) | MAPTKDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL10583888 | 0.70 | MMP9 (0.41) | MAPTCYP3A4KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7696985 | 0.68 | MMP9 (0.49) | MAPTCYP3A4ALDH1A1CYP2C9MMP9 | |
| Thiophenytoin SCHEMBL1685397 | 0.67 | CYP2C9 (0.64) | MAPTALDH1A1CYP2C9MEN1KMT2A | |
| SCHEMBL29195204 | 0.67 | ELANE (0.46) | MAPTCYP3A4KDM4EALDH1A1CYP1A2 | |
| SCHEMBL13967211 | 0.67 | CYP3A4 (0.41) | MAPTCYP3A4KDM4EALDH1A1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105218457-A | A kind of preparation method of 3,5,5 '-three replacement-2-thiohydantoin | UNIV SHANDONG | 2016-01-06 | — | — | CN | claimed |
| CN-105218457-A | A kind of preparation method of 3,5,5 '-three replacement-2-thiohydantoin | UNIV SHANDONG | 2016-01-06 | — | — | CN | disclosed |