Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.80 |
| ▸ | MAPT | P10636 | 8/20 | 0.80 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.80 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.80 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.80 |
| ▸ | USP2 | O75604 | 4/20 | 0.80 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.80 |
| ▸ | TP53 | P04637 | 4/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.73 |
| ▸ | TSHR | P16473 | 3/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.73 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.73 |
| ▸ | ODC1 | P11926 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | GALR3 | O60755 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11938491 | 1.00 | CYP3A4 (0.80) | CYP3A4MAPTSMN1; SMN2TDP1KDM4E | |
| SCHEMBL14273346 | 1.00 | CYP3A4 (0.80) | CYP3A4MAPTSMN1; SMN2TDP1KDM4E | |
| SCHEMBL11938549 | 1.00 | CYP3A4 (0.80) | CYP3A4MAPTSMN1; SMN2TDP1KDM4E | |
| SCHEMBL13557429 | 0.91 | CYP3A4 (0.70) | CYP3A4MAPTSMN1; SMN2TDP1KDM4E | |
| Toxicarol SCHEMBL25199717 | 0.89 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2TDP1KDM4E | |
| Toxicarol SCHEMBL4742046 | 0.89 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2TDP1KDM4E | |
| SCHEMBL17188565 | 0.87 | CYP3A4 (0.77) | CYP3A4MAPTSMN1; SMN2TDP1KDM4E | |
| SCHEMBL11938546 | 0.86 | CYP3A4 (0.75) | CYP3A4MAPTSMN1; SMN2TDP1KDM4E | |
| SCHEMBL11938548 | 0.86 | CYP3A4 (0.75) | CYP3A4MAPTSMN1; SMN2TDP1KDM4E | |
| SCHEMBL13557353 | 0.84 | CYP3A4 (0.74) | CYP3A4MAPTSMN1; SMN2TDP1KDM4E |
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-9718786-B2 | Contrast agents for myocardial perfusion imaging | LANTHEUS MEDICAL IMAGING, INC. (US) | 2017-08-01 | — | — | US | disclosed |