Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 3/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | FPR1 | P21462 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL29086026 | 0.90 | KMT2A (0.42) | MEN1KMT2ANPC1RAB9ADDB1 | |
| SCHEMBL29086047 | 0.85 | ROCK2 (0.43) | MEN1KMT2ARAB9AFPR2ROCK2 | |
| SCHEMBL29086020 | 0.83 | FADS1 (0.42) | POLBROCK2MGLL | |
| SCHEMBL29086070 | 0.82 | ATM (0.48) | MEN1KMT2AHDAC8HDAC6HDAC1 | |
| SCHEMBL29086023 | 0.82 | HSD11B1 (0.48) | KMT2AMGLL | |
| SCHEMBL29086041 | 0.80 | DRD2 (0.36) | KMT2AHDAC8HDAC6HDAC1 | |
| SCHEMBL29086036 | 0.80 | ROCK2 (0.49) | KMT2AROCK2MGLL | |
| SCHEMBL29086045 | 0.78 | NPSR1 (0.38) | KMT2A | |
| SCHEMBL29086032 | 0.77 | SLC6A2 (0.48) | HDAC8HDAC6HDAC1 | |
| SCHEMBL29086017 | 0.77 | ROCK2 (0.43) | ROCK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117142918-B | Preparation method of chiral trifluoromethyl nitrogen heterocyclic compound | 北京师范大学 | 2024-02-02 | — | — | CN | disclosed |
| CN-117142918-A | Preparation method of chiral trifluoromethyl nitrogen heterocyclic compound | 北京师范大学 | 2023-12-01 | — | — | CN | disclosed |
| CN-116444412-A | Preparation method of chiral trifluoromethyl nitrogen heterocyclic compound | 北京师范大学 | 2023-07-18 | — | — | CN | disclosed |