Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.60 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 6/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL4382670 | 0.95 | LMNA (0.65) | ALDH1A1ASAH1ACER2LMNACYP2D6 | |
| SCHEMBL27713482 | 0.93 | LMNA (0.68) | ALDH1A1ASAH1ACER2LMNACYP2D6 | |
| SCHEMBL8644590 | 0.93 | LMNA (0.68) | ALDH1A1ASAH1ACER2LMNACYP2D6 | |
| SCHEMBL16784192 | 0.93 | LMNA (0.68) | ALDH1A1ASAH1ACER2LMNACYP2D6 | |
| Hydrochloric Acid SCHEMBL4924515 | 0.92 | LMNA (0.66) | ALDH1A1ASAH1ACER2LMNACYP2D6 | |
| Hydrochloric Acid SCHEMBL4931174 | 0.92 | LMNA (0.66) | ALDH1A1ASAH1ACER2LMNACYP2D6 | |
| SCHEMBL22461952 | 0.89 | CYP2D6 (0.58) | ALDH1A1ASAH1ACER2LMNACYP2D6 | |
| SCHEMBL20689716 | 0.89 | CYP2D6 (0.58) | ALDH1A1ASAH1ACER2LMNACYP2D6 | |
| SCHEMBL20689721 | 0.89 | CYP2D6 (0.58) | ALDH1A1ASAH1ACER2LMNACYP2D6 | |
| SCHEMBL13990579 | 0.89 | CYP2D6 (0.58) | ALDH1A1ASAH1ACER2LMNACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012097510-A1 | PROCESS FOR PREPARATION OF EFAVIRENZ BY CYCLISATION | LONZA LTD (CH) | 2012-07-26 | — | — | WO | disclosed |
| WO-2012097511-A1 | DMP-266 BY CYCLISATION | LONZA LTD (CH) | 2012-07-26 | — | — | WO | disclosed |