Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10391112 | 0.78 | KAT2B (0.37) | ALDH1A1MAPTGAAMAPK1LMNA | |
| SCHEMBL4968352 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TRPA1MAPTHSD17B10TP53 | |
| Hydrochloric Acid SCHEMBL10391920 | 0.76 | KAT2B (0.36) | ALDH1A1MAPTGAAMAPK1LMNA | |
| SCHEMBL3194473 | 0.73 | ALDH1A1 (0.52) | ALDH1A1TRPA1MAPTHSD17B10TP53 | |
| SCHEMBL10391751 | 0.71 | GAA (0.40) | ALDH1A1GAAKAT2BKDR | |
| SCHEMBL4050173 | 0.70 | MAPT (0.50) | ALDH1A1TRPA1MAPTHSD17B10TP53 | |
| SCHEMBL4050170 | 0.68 | ALDH1A1 (0.50) | ALDH1A1TRPA1MAPTHSD17B10TP53 | |
| SCHEMBL29118505 | 0.68 | ADRA2C (0.53) | ALDH1A1MAPTHSD17B10TP53GAA | |
| SCHEMBL29118509 | 0.68 | HTT (0.47) | ALDH1A1TRPA1MAPTHSD17B10TP53 | |
| SCHEMBL27638247 | 0.68 | CA12 (0.47) | ALDH1A1TRPA1MAPTHSD17B10TP53 |
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-7939621-B2 | Oligocarbonate molecular transporters | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2011-05-10 | — | — | US | claimed |
| US-7939621-B2 | Oligocarbonate molecular transporters | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2011-05-10 | — | — | US | disclosed |