Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 9/20 | 0.53 |
| ▸ | MMP9 | P14780 | 9/20 | 0.53 |
| ▸ | F2 | P00734 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.49 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.49 |
| ▸ | ITGAL | P20701 | 1/20 | 0.49 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL6813880 | 1.00 | SMN1; SMN2 (0.55) | SMN1; SMN2MMP2MMP9F2KMT2A | |
| SCHEMBL5863653 | 0.91 | SMN1; SMN2 (0.64) | SMN1; SMN2MMP2MMP9KMT2AADAM17 | |
| SCHEMBL4133797 | 0.91 | SMN1; SMN2 (0.64) | SMN1; SMN2MMP2MMP9KMT2AADAM17 | |
| SCHEMBL5399341 | 0.84 | SMN1; SMN2 (0.53) | SMN1; SMN2MMP2MMP9KMT2AADAM17 | |
| Cyclohexylamine SCHEMBL6239195 | 0.82 | F2 (0.66) | F2 | |
| Cyclohexylamine SCHEMBL1169023 | 0.81 | F2 (0.55) | F2 | |
| Cyclohexylamine SCHEMBL1169027 | 0.81 | F2 (0.55) | F2 | |
| Cyclohexylamine SCHEMBL25313860 | 0.80 | F2 (0.54) | F2 | |
| Cyclohexylamine SCHEMBL29475884 | 0.80 | F2 (0.54) | F2 | |
| SCHEMBL10412558 | 0.80 | ACE (0.52) | SMN1; SMN2MMP2MMP9KMT2AITGB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6764858-B2 | GENERATING LIBRARY OF PREFERENTIAL PARTICLES; OBTAIN COMPOUNDS, MONITOR SOLUBILITY IN DEUTERATED WATER, RECOVER CMPOUNDS | PHARMACIA & UPJOHN COMPANY | 2004-07-20 | — | — | US | disclosed |
| US-20020192707-A1 | Methods for creating a compound library | PHARMACIA & UPJOHN | 2002-12-19 | — | — | US | disclosed |