Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 2/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.48 |
| ▸ | GPR183 | P32249 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | OXTR | P30559 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30474575 | 1.00 | NNMT (0.57) | NNMTMAOAMAOBALDH1A1MEN1 | |
| SCHEMBL9672055 | 0.79 | ALDH1A1 (0.49) | NNMTALDH1A1MEN1KMT2AHTT | |
| SCHEMBL10123137 | 0.79 | KMT2A (0.53) | ALDH1A1MEN1KMT2AHTTHIF1A | |
| SCHEMBL4582774 | 0.76 | NNMT (0.58) | NNMTMAOAMAOBALDH1A1MEN1 | |
| SCHEMBL4582780 | 0.76 | NNMT (0.58) | NNMTMAOAMAOBALDH1A1MEN1 | |
| SCHEMBL18228074 | 0.76 | NNMT (0.72) | NNMTMAOAMAOBALDH1A1MEN1 | |
| SCHEMBL27313612 | 0.75 | NNMT (0.66) | NNMTMAOAMAOBALDH1A1HTT | |
| SCHEMBL9449259 | 0.75 | ALDH1A1 (0.61) | MAOAMAOBALDH1A1MEN1KMT2A | |
| SCHEMBL29757598 | 0.74 | NNMT (0.70) | NNMTALDH1A1MKNK1MKNK2MAPT | |
| SCHEMBL29514668 | 0.74 | NNMT (0.70) | NNMTMAOAMAOBALDH1A1MEN1 |
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-113354635-B | Pyrrolidine integrin regulator and application thereof | 清药同创(北京)药物研发中心有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-113354635-A | Pyrrolidine integrin regulator and application thereof | 清药同创(北京)药物研发中心有限公司 | 2021-09-07 | — | — | CN | disclosed |