Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7363637 | 0.88 | TPMT (0.56) | TPMTTOP1ALDH1A1TSHRKDM4E | |
| SCHEMBL7371498 | 0.83 | VCAM1 (0.51) | TPMTTOP1ALDH1A1TSHRMAPT | |
| SCHEMBL8728378 | 0.83 | KMT2A (0.42) | TPMTTOP1ALDH1A1KDM4ERAB9A | |
| SCHEMBL7435351 | 0.82 | TPMT (0.41) | TPMTTSHRMEN1KMT2ATDP1 | |
| SCHEMBL1986869 | 0.81 | TPMT (0.67) | TPMTALDH1A1TSHRKDM4EGAA | |
| SCHEMBL7282357 | 0.79 | KMT2A (0.48) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL7373621 | 0.79 | L3MBTL1 (0.48) | TOP1ALDH1A1KDM4EGAARAB9A | |
| SCHEMBL7048480 | 0.78 | TOP1 (0.42) | TOP1ALDH1A1TSHRRAB9AMAPT | |
| SCHEMBL1052229 | 0.77 | TPMT (0.54) | TPMTALDH1A1KDM4ERAB9AMAPT | |
| SCHEMBL11166903 | 0.76 | MEN1 (0.41) | TPMTTOP1ALDH1A1TSHRGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0237929-A1 | 3,5-Disubstituted pyrocatechol derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-23 | — | — | EP | disclosed |