Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6269460 | 1.00 | TSHR (0.53) | TSHRACHELMNAALOX12CYP2C19 | |
| SCHEMBL11262611 | 0.88 | ALDH1A1 (0.61) | TSHRACHELMNAALOX12CYP2C19 | |
| SCHEMBL28995969 | 0.85 | CYP2C19 (0.45) | TSHRACHELMNAALOX12CYP2C19 | |
| SCHEMBL261308 | 0.83 | ALDH1A1 (0.56) | TSHRACHELMNAALOX12CYP2C19 | |
| SCHEMBL13515157 | 0.83 | ALDH1A1 (0.56) | TSHRACHELMNAALOX12CYP2C19 | |
| SCHEMBL43023 | 0.83 | ALDH1A1 (0.56) | TSHRACHELMNAALOX12CYP2C19 | |
| SCHEMBL12154508 | 0.83 | ALDH1A1 (0.56) | TSHRACHELMNAALOX12CYP2C19 | |
| SCHEMBL6139963 | 0.83 | ALDH1A1 (0.56) | TSHRACHELMNAALOX12CYP2C19 | |
| SCHEMBL10065556 | 0.83 | ALDH1A1 (0.56) | TSHRACHELMNAALOX12CYP2C19 | |
| SCHEMBL57176 | 0.83 | ALDH1A1 (0.56) | TSHRACHELMNAALOX12CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005087901-A2 | FUEL ADDITIVE COMPOSITION HAVING ANTIKNOCK PROPERTIES | INNOSPEC LIMITED (GB) | 2005-09-22 | — | — | WO | claimed |
| CN-116964063-A | Polycyclic aromatic compounds | 学校法人关西学院 | 2023-10-27 | — | — | CN | disclosed |
| CN-116284073-A | Polycyclic aromatic compound, material for organic device, organic electroluminescent element, display device, and lighting device | 学校法人关西学院 | 2023-06-23 | — | — | CN | disclosed |
| WO-2005087901-A2 | FUEL ADDITIVE COMPOSITION HAVING ANTIKNOCK PROPERTIES | INNOSPEC LIMITED (GB) | 2005-09-22 | — | — | WO | disclosed |
| US-6444603-B1 | CATALYST COMPONENT OBTAINED BY REACTING COMPOUND COMPRISING METAL OF GROUP 13 OF PERIODIC TABLE, COMPOUND CAPABLE OF BEING BONDED TO TWO OR MORE OF GROUP 13 METAL, COMPOUND CAPABLE OF FORMING IONIZING IONIC COMPOUND WITH GROUP 13 COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2002-09-03 | — | — | US | disclosed |