Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SELP | P16109 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 2/20 | 0.32 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4062798 | 1.00 | MIF (0.34) | MIFALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL4053148 | 0.97 | — | — | |
| SCHEMBL18881113 | 0.91 | SELP (0.35) | MIFALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL15529274 | 0.90 | — | — | |
| SCHEMBL1168913 | 0.84 | HMGCR (0.41) | MIFALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL1169581 | 0.84 | HMGCR (0.41) | MIFALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL1765934 | 0.84 | HMGCR (0.41) | MIFALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL1168708 | 0.84 | HMGCR (0.41) | MIFALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL1169234 | 0.84 | HMGCR (0.41) | MIFALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL302841 | 0.81 | ALDH1A1 (0.39) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT |
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-20170166679-A1 | POLYURETHANE MATERIALS FORMED FROM UNSATURATED PLANT OILS VIA AN ALKYNE ZIPPER REACTION | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2017-06-15 | — | — | US | disclosed |