Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4731277 | 0.82 | MEN1 (0.36) | DHFRALDH1A1TSHRCYP3A4MEN1 | |
| SCHEMBL4736076 | 0.79 | RXRA (0.40) | DHFRTNFRSF1APTGS2ALDH1A1TSHR | |
| SCHEMBL13900816 | 0.78 | PTGS2 (0.54) | DHFRTNFRSF1APTGS2ALDH1A1TSHR | |
| SCHEMBL8766790 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP3A4PTGS1CA2 | |
| SCHEMBL5365834 | 0.76 | TNFRSF1A (0.46) | DHFRTNFRSF1APTGS2ALDH1A1TSHR | |
| SCHEMBL9158374 | 0.76 | DHFR (0.49) | DHFRTNFRSF1APTGS2ALDH1A1TSHR | |
| SCHEMBL18476024 | 0.76 | MAPT (0.47) | DHFRTNFRSF1APTGS2ALDH1A1TSHR | |
| SCHEMBL4729051 | 0.76 | ALDH1A1 (0.65) | ALDH1A1TSHRCYP3A4MEN1USP2 | |
| SCHEMBL6959381 | 0.76 | DHFR (0.45) | DHFRTNFRSF1APTGS2ALDH1A1TSHR | |
| SCHEMBL7792677 | 0.74 | NR1H4 (0.49) | DHFRTNFRSF1AALDH1A1TSHRPTGS1 |
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-2008052288-A1 | DITHIOLE COMPOUNDS AS COX INHIBITORS | NEURO THERAPEUTICS LIMITED (AU) | 2008-05-08 | — | — | WO | disclosed |