Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGM2 | P21980 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ITK | Q08881 | 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL10395160 | 0.80 | PSMB5 (0.46) | TGM2TSHRALDH1A1CYP3A4CYP2C9 | |
| O-Xylene SCHEMBL29189105 | 0.79 | TSHR (0.50) | TGM2TSHRACHEALDH1A1CYP3A4 | |
| O-Xylene SCHEMBL9305661 | 0.79 | TSHR (0.50) | TGM2TSHRACHEALDH1A1CYP3A4 | |
| O-Xylene SCHEMBL29827150 | 0.79 | TSHR (0.50) | TGM2TSHRACHEALDH1A1CYP3A4 | |
| SCHEMBL648951 | 0.78 | NPC1 (0.62) | TGM2ALDH1A1NPC1RAB9AHPGD | |
| O-Xylene SCHEMBL27882260 | 0.77 | AKT1 (0.48) | TGM2TSHRACHEALDH1A1CYP3A4 | |
| O-Xylene SCHEMBL28215204 | 0.77 | TSHR (0.48) | TGM2TSHRACHEALDH1A1NPC1 | |
| O-Xylene SCHEMBL4577186 | 0.77 | ALDH1A1 (0.52) | TGM2TSHRACHEALDH1A1CYP3A4 | |
| O-Xylene SCHEMBL10395161 | 0.77 | ALDH1A1 (0.52) | TGM2TSHRACHEALDH1A1CYP3A4 | |
| O-Xylene SCHEMBL27798322 | 0.77 | ALDH1A1 (0.42) | TGM2TSHRACHEALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1984004525-A1 | A METHOD FOR SPLITTING DI-SULPHIDE BONDS AND A COMPOUND OBTAINED THEREBY | PHARMACIA AB (SE) | 1984-11-22 | — | — | WO | disclosed |