Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | HTR1B | P28222 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTR1D | P28221 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL195569 | 0.96 | TDP1 (0.64) | TDP1MAPK1KCNA3TAAR1HPGD | |
| Ammonia Solution, Strong SCHEMBL8909905 | 0.94 | TDP1 (0.62) | TDP1MAPK1KCNA3TAAR1HPGD | |
| SCHEMBL7449489 | 0.85 | KCNA3 (0.62) | TDP1MAPK1KCNA3TAAR1HPGD | |
| SCHEMBL27451022 | 0.85 | MAPK1 (0.56) | TDP1MAPK1KCNA3HPGDHTT | |
| 1,4-Diisopentoxybenzene SCHEMBL2846102 | 0.84 | TDP1 (0.79) | TDP1MAPK1HTTGAAEPHX2 | |
| SCHEMBL6698794 | 0.83 | KCNA3 (0.54) | TDP1KCNA3TAAR1SIGMAR1MAOA | |
| SCHEMBL11580701 | 0.83 | KCNA3 (0.67) | TDP1MAPK1KCNA3TAAR1HPGD | |
| SCHEMBL9503356 | 0.83 | KCNA3 (0.58) | TDP1MAPK1KCNA3TAAR1SIGMAR1 | |
| SCHEMBL11068531 | 0.82 | KCNA3 (0.64) | TDP1MAPK1KCNA3TAAR1HPGD | |
| SCHEMBL12746095 | 0.82 | KCNA3 (0.64) | TDP1MAPK1KCNA3TAAR1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-105175417-A | One-dimensional organic semiconductor nanotube with fluorescent response to organic amine gas and preparation method and application of one-dimensional organic semiconductor nanotube | CHINESE ACAD INST CHEMISTRY | 2015-12-23 | — | — | CN | disclosed |