Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | PSIP1 | O75475 | 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 | |
|---|---|---|---|---|
| SCHEMBL462838 | 0.89 | NR1I2 (0.33) | NR1I2MAPTCYP3A4KDM4ENPC1 | |
| SCHEMBL18382263 | 0.89 | NR1I2 (0.33) | NR1I2MAPTCYP3A4KDM4ENPC1 | |
| SCHEMBL457394 | 0.84 | ALDH1A1 (0.41) | NR1I2MAPTPOLBKDM4ENPC1 | |
| SCHEMBL15226886 | 0.84 | NR1I2 (0.48) | NR1I2MAPTPOLBKDM4ENPC1 | |
| SCHEMBL461035 | 0.84 | NR1I2 (0.48) | NR1I2MAPTPOLBKDM4ENPC1 | |
| SCHEMBL470411 | 0.84 | KDM4E (0.32) | MAPTKDM4ENPC1USP2ALDH1A1 | |
| SCHEMBL462501 | 0.81 | NR1I2 (0.42) | NR1I2MAPTPOLBKDM4ENPC1 | |
| SCHEMBL461350 | 0.81 | NR1I2 (0.42) | NR1I2MAPTPOLBKDM4ENPC1 | |
| SCHEMBL15235302 | 0.80 | NR1I2 (0.45) | NR1I2MAPTPOLBKDM4ENPC1 | |
| SCHEMBL15226964 | 0.80 | NPC1 (0.47) | NR1I2MAPTPOLBKDM4ENPC1 |
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-2012033735-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |