Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | MMP12 | P39900 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | STAT1 | P42224 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27433280 | 0.81 | RAB9A (0.50) | TDP1MAPK1ALDH1A1RAB9ANPC1 | |
| SCHEMBL9530581 | 0.79 | TDP1 (0.56) | TDP1TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL8884936 | 0.78 | GPR84 (0.50) | TDP1TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL27492019 | 0.75 | ALDH1A1 (0.41) | TDP1TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL949772 | 0.71 | NPC1 (0.51) | TDP1TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL8885939 | 0.70 | ALDH1A1 (0.51) | TSHRALDH1A1L3MBTL1NPC1KMT2A | |
| SCHEMBL7723904 | 0.70 | ALDH1A1 (0.54) | TDP1TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL9339127 | 0.70 | TNKS (0.45) | L3MBTL1MAPTSMN1; SMN2LMNA | |
| SCHEMBL7736627 | 0.69 | ALDH1A1 (0.53) | TDP1TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL20656207 | 0.69 | MMP2 (0.47) | TDP1MAPK1ALDH1A1RAB9ANPC1 |
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-1192035-C | Inhibitors of interleukin-1'beta' converting enzyme | VERTEX PHARMA (US) | 2005-03-09 | — | — | CN | disclosed |