Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE9A | O76083 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.39 |
| ▸ | FASN | P49327 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.36 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.36 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.35 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23955998 | 0.82 | EGLN2 (0.39) | ARCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL22153065 | 0.80 | JAK2 (0.36) | PDE9AARKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL22129389 | 0.79 | RET (0.37) | ARKDM4EALDH1A1SMN1; SMN2RET | |
| SCHEMBL22129386 | 0.76 | SMO (0.45) | PDE9ASMO | |
| SCHEMBL29929479 | 0.76 | SMO (0.45) | PDE9ASMO | |
| SCHEMBL19145260 | 0.76 | ALDH1A1 (0.51) | ARKDM4EALDH1A1SMN1; SMN2TBK1 | |
| SCHEMBL28422543 | 0.72 | PROKR1 (0.38) | PDE9AFASNCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL19689542 | 0.69 | HRH3 (0.45) | — | |
| SCHEMBL31472937 | 0.69 | HRH3 (0.45) | — | |
| SCHEMBL11981511 | 0.67 | EGLN2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3901146-A1 | PHENYLPYRROLIDINE COMPOUND AND USE THEREOF | Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020125627-A1 | PHENYLPYRROLIDINE COMPOUND AND USE THEREOF | 湖北生物医药产业技术研究院有限公司 | 2020-06-25 | — | — | WO | disclosed |