Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.53 |
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8909148 | 0.88 | RAB9A (0.63) | SMN1; SMN2NPC1RAB9AHTTMEN1 | |
| SCHEMBL10784360 | 0.75 | HPGD (0.52) | SMN1; SMN2NPC1RAB9AHTTMAPT | |
| Anisole SCHEMBL2277975 | 0.74 | ALDH1A1 (0.54) | SMN1; SMN2NPC1RAB9AHTTMAPT | |
| SCHEMBL5772297 | 0.74 | MMP8 (0.58) | — | |
| Methyl Benzoate SCHEMBL27654533 | 0.72 | TSHR (0.68) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL8820811 | 0.72 | SMN1; SMN2 (0.76) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL11118401 | 0.71 | MAPT (0.62) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL28187512 | 0.70 | RAB9A (1.00) | SMN1; SMN2NPC1RAB9AHTTMEN1 | |
| Hydrochloric Acid SCHEMBL8704142 | 0.70 | MEN1 (0.50) | SMN1; SMN2NPC1RAB9AHTTMAPT | |
| SCHEMBL7959792 | 0.70 | MAPT (0.50) | SMN1; SMN2MAPTMEN1KMT2AMAPK1 |
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-5693657-A | USEFUL FOR TREATING HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1997-12-02 | — | — | US | disclosed |