Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 7/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PRF1 | P14222 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | NAT1 | P18440 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.35 |
| ▸ | TUBB | P07437 | 2/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8177338 | 1.00 | GSK3B (0.58) | GSK3BCYP2A6PIM1MEN1KMT2A | |
| SCHEMBL9254893 | 0.86 | GSK3B (0.75) | GSK3BPIM1MEN1KMT2ARAB9A | |
| SCHEMBL9254899 | 0.86 | GSK3B (0.75) | GSK3BPIM1MEN1KMT2ARAB9A | |
| SCHEMBL8167446 | 0.73 | GSK3B (0.54) | GSK3BCYP2A6PIM1MEN1KMT2A | |
| SCHEMBL8177908 | 0.73 | PDE4B (0.46) | GSK3BPIM1MEN1KMT2ARAB9A | |
| SCHEMBL8177911 | 0.73 | PDE4B (0.46) | GSK3BPIM1MEN1KMT2ARAB9A | |
| SCHEMBL7079637 | 0.71 | CYP2A6 (0.64) | GSK3BCYP2A6PRF1CA2TUBB4A | |
| SCHEMBL8173296 | 0.71 | PIM1 (0.51) | PIM1MEN1KMT2ARAB9ATDP1 | |
| SCHEMBL8173297 | 0.71 | PIM1 (0.51) | PIM1MEN1KMT2ARAB9ATDP1 | |
| SCHEMBL8173766 | 0.70 | PIM1 (0.74) | PIM1MEN1KMT2ARAB9ATDP1 |
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-2000018748-A1 | RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS | ROCHE DIAGNOSTICS GMBH (DE) | 2000-04-06 | — | — | WO | disclosed |