Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | RAB9A | P51151 | 8/20 | 0.46 |
| ▸ | NPC1 | O15118 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | ACACA | Q13085 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 7/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11614766 | 0.95 | NPC1 (0.52) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL11610771 | 0.92 | KDM4E (0.52) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL11613047 | 0.91 | KDM4E (0.54) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL11612344 | 0.91 | KDM4E (0.54) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL11613419 | 0.89 | KDM4E (0.43) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL11615214 | 0.84 | RAB9A (0.52) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL11607934 | 0.81 | RAB9A (0.41) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL11616487 | 0.79 | RAB9A (0.47) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL11610881 | 0.79 | NPC1 (0.59) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL11613486 | 0.79 | RAB9A (0.58) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4066570-A | OPTICAL CELLS, NEMATIC MIXTURES, LIQUID CRYSTALS | HOFFMAN-LA ROCHE INC. (US) | 1978-01-03 | — | — | US | disclosed |
| US-3997536-A | LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1976-12-14 | — | — | US | disclosed |