Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | AGXT | P21549 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | SGK1 | O00141 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1026968 | 0.84 | CFTR (0.43) | NPC1ALDH1A1HPGDSMN1; SMN2CFTR | |
| SCHEMBL7628236 | 0.84 | CFTR (0.43) | NPC1ALDH1A1HPGDSMN1; SMN2CFTR | |
| SCHEMBL28270428 | 0.78 | ALDH1A1 (0.48) | KDM4ENPC1ALDH1A1SMN1; SMN2CFTR | |
| SCHEMBL28208288 | 0.72 | TAAR1 (1.00) | TAAR1LOXL2HRH3CYP2A6ADRB2 | |
| SCHEMBL131842 | 0.72 | TAAR1 (1.00) | TAAR1LOXL2HRH3CYP2A6ADRB2 | |
| SCHEMBL22291708 | 0.72 | TAAR1 (1.00) | TAAR1LOXL2HRH3CYP2A6ADRB2 | |
| SCHEMBL22202237 | 0.72 | TAAR1 (1.00) | TAAR1LOXL2HRH3CYP2A6ADRB2 | |
| Hydrochloric Acid SCHEMBL1661202 | 0.70 | TAAR1 (0.95) | TAAR1LOXL2HRH3CYP2A6ADRB2 | |
| Hydrochloric Acid SCHEMBL7921699 | 0.70 | TAAR1 (0.95) | TAAR1LOXL2HRH3CYP2A6ADRB2 | |
| SCHEMBL27542120 | 0.70 | CYP11B1 (0.49) | TAAR1LOXL2HRH3CYP2A6ADRB2 |
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-109232169-A | A kind of polyaryl replaces fulvalene compound and its synthetic method | 大连理工大学 | 2019-01-18 | — | — | CN | disclosed |