Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.33 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13267556 | 0.82 | AKR1C4 (0.32) | AKR1C4AKR1C3AKR1C2NOS3NOS1 | |
| SCHEMBL19419769 | 0.82 | AKR1C4 (0.32) | AKR1C4AKR1C3AKR1C2NOS3NOS1 | |
| SCHEMBL14781266 | 0.80 | MEN1 (0.35) | MEN1ALDH1A1KMT2ACYP19A1 | |
| SCHEMBL10406367 | 0.80 | MEN1 (0.35) | MEN1ALDH1A1KMT2ACYP19A1 | |
| SCHEMBL10406370 | 0.80 | MEN1 (0.35) | MEN1ALDH1A1KMT2ACYP19A1 | |
| SCHEMBL10406366 | 0.80 | MEN1 (0.35) | MEN1ALDH1A1KMT2ACYP19A1 | |
| SCHEMBL13483793 | 0.76 | CYP19A1 (0.34) | MEN1ALDH1A1KMT2ACYP19A1 | |
| SCHEMBL5918116 | 0.75 | AKR1C4 (0.30) | AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL13484309 | 0.75 | CHRNB2 (0.34) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL24479176 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7667036-B2 | MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders | TEIJIN PHARMA LIMITED (JP) | 2010-02-23 | — | — | US | disclosed |