Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28638070 | 0.99 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2NPC1RAB9ATAAR1 | |
| SCHEMBL2892759 | 0.85 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL5466541 | 0.85 | NPC1 (0.47) | ALDH1A1SMN1; SMN2NPC1KMT2AMEN1 | |
| SCHEMBL5466533 | 0.85 | NPC1 (0.47) | ALDH1A1SMN1; SMN2NPC1KMT2AMEN1 | |
| SCHEMBL19505660 | 0.82 | SIGMAR1 (0.69) | SMN1; SMN2NPC1RAB9ATAAR1KMT2A | |
| SCHEMBL12269593 | 0.81 | CYP3A4 (0.63) | ALDH1A1SMN1; SMN2TAAR1KMT2AMEN1 | |
| SCHEMBL27576246 | 0.81 | CYP3A4 (0.63) | ALDH1A1SMN1; SMN2TAAR1KMT2AMEN1 | |
| SCHEMBL15131105 | 0.80 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL23754496 | 0.79 | SMN1; SMN2 (0.60) | ALDH1A1SMN1; SMN2KMT2AMEN1LMNA | |
| SCHEMBL5272556 | 0.79 | SMN1; SMN2 (0.60) | ALDH1A1SMN1; SMN2KMT2AMEN1LMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112079724-B | Preparation method of dehydroxy mirabegron and intermediate thereof | 南京易亨制药有限公司（CN） | 2023-01-13 | — | — | CN | claimed |
| CN-112079724-A | Preparation method of dehydroxy mirabegron and intermediate thereof | 南京易亨制药有限公司 | 2020-12-15 | — | — | CN | claimed |
| CN-113480455-B | Preparation method of mirabegron related substance and intermediate thereof | 浙江恒康药业股份有限公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-112079724-B | Preparation method of dehydroxy mirabegron and intermediate thereof | 南京易亨制药有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-112079724-B | Preparation method of dehydroxy mirabegron and intermediate thereof | 南京易亨制药有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-113480455-A | Preparation method of mirabegron related substance and intermediate thereof | 浙江恒康药业股份有限公司 | 2021-10-08 | — | — | CN | disclosed |
| CN-112079724-A | Preparation method of dehydroxy mirabegron and intermediate thereof | 南京易亨制药有限公司 | 2020-12-15 | — | — | CN | disclosed |
| CN-112079724-A | Preparation method of dehydroxy mirabegron and intermediate thereof | 南京易亨制药有限公司 | 2020-12-15 | — | — | CN | disclosed |