Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL30279 | 0.97 | — | — | |
| SCHEMBL69910 | 0.91 | — | — | |
| Ethylmalonate SCHEMBL107241 | 0.78 | — | — | |
| SCHEMBL8488441 | 0.78 | — | — | |
| SCHEMBL11568004 | 0.77 | — | — | |
| Pyridine SCHEMBL27438817 | 0.77 | TSHR (0.38) | TDP1TSHRLMNAALDH1A1MEN1 | |
| SCHEMBL4318394 | 0.76 | CHRM1 (0.52) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Ethylmalonate SCHEMBL9765245 | 0.76 | HDAC1 (0.43) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Ethylmalonate SCHEMBL9118935 | 0.76 | HDAC1 (0.43) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Ethylmalonate SCHEMBL5236397 | 0.76 | HDAC1 (0.43) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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-8119092-B2 | Hydroxyl groups and polyethylene glycol covalently bonded to a fullerene encapsulating a trimetallic nitride; conductors, semiconductor, superconductors | LUNA INNOVATIONS INCORPORATED (US) | 2012-02-21 | — | — | US | disclosed |