Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27409488 | 0.83 | HTT (0.45) | NPC1RAB9AALDH1A1HSD17B10HPGD | |
| SCHEMBL28925104 | 0.76 | KMT2A (0.52) | LDHAMEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL9172638 | 0.73 | ALDH1A1 (0.59) | NR4A1NR4A2NR4A3MEN1RAB9A | |
| SCHEMBL25269454 | 0.72 | INPPL1 (0.43) | MEN1NPC1RAB9AKMT2AHPRT1 | |
| SCHEMBL28217864 | 0.72 | ALDH1A1 (0.50) | CYP1A1CYP1B1HPRT1ALDH1A1HSD17B10 | |
| SCHEMBL3132727 | 0.71 | HPRT1 (0.40) | CYP1B1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL3367134 | 0.71 | HSD17B10 (0.59) | WDR5LDHANR4A1NR4A2NR4A3 | |
| SCHEMBL31429106 | 0.71 | HSD17B10 (0.59) | WDR5LDHANR4A1NR4A2NR4A3 | |
| SCHEMBL4599843 | 0.71 | HPRT1 (0.42) | CYP1B1NPC1HPRT1ALDH1A1HSD17B10 | |
| SCHEMBL29428610 | 0.70 | SLC2A1 (0.36) | MEN1KMT2AHPRT1ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110655450-A | New process for synthesizing 3,4-dichlorobenzotrifluoride | 江苏丰华化学工业有限公司 | 2020-01-07 | — | — | CN | disclosed |
| CN-110655443-A | Novel chlorination process of 4-chlorotrifluoromethane | 江苏丰华化学工业有限公司 | 2020-01-07 | — | — | CN | disclosed |