Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 7/20 | 0.42 |
| ▸ | TACR3 | P29371 | 6/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4981257 | 1.00 | CYP3A4 (0.45) | CYP3A4KDM4EALDH1A1SMN1; SMN2ELANE | |
| Corboxylic Acid SCHEMBL8273022 | 0.95 | CYP3A4 (0.46) | CYP3A4KDM4EALDH1A1SMN1; SMN2ELANE | |
| Corboxylic Acid SCHEMBL5692528 | 0.95 | CYP3A4 (0.46) | CYP3A4KDM4EALDH1A1SMN1; SMN2ELANE | |
| Corboxylic Acid SCHEMBL13997824 | 0.95 | CYP3A4 (0.46) | CYP3A4KDM4EALDH1A1SMN1; SMN2ELANE | |
| Corboxylic Acid SCHEMBL30966182 | 0.95 | CYP3A4 (0.46) | CYP3A4KDM4EALDH1A1SMN1; SMN2ELANE | |
| SCHEMBL5692538 | 0.92 | KDM4E (0.42) | CYP3A4KDM4EALDH1A1SMN1; SMN2ELANE | |
| SCHEMBL8275068 | 0.91 | CTSB (0.46) | CYP3A4KDM4EALDH1A1SMN1; SMN2TACR3 | |
| SCHEMBL8355920 | 0.91 | KDM4E (0.43) | CYP3A4KDM4EALDH1A1SMN1; SMN2ELANE | |
| SCHEMBL8353025 | 0.90 | CYP3A4 (0.50) | CYP3A4KDM4EALDH1A1SMN1; SMN2ELANE | |
| SCHEMBL8354706 | 0.89 | CYP3A4 (0.48) | CYP3A4KDM4EALDH1A1SMN1; SMN2ELANE |
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-2004043339-A2 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |