Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | MMP9 | P14780 | 2/20 | 0.50 |
| ▸ | MMP12 | P39900 | 2/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10530815 | 0.78 | TDP1 (0.61) | TDP1KMT2ASLC6A2SLC6A3MMP2 | |
| SCHEMBL19674752 | 0.75 | ALDH1A1 (0.42) | TDP1KMT2ASLC6A2SLC6A3MMP2 | |
| SCHEMBL21137810 | 0.73 | TDP1 (0.54) | TDP1KMT2ASLC6A2SLC6A3MMP2 | |
| SCHEMBL28844243 | 0.73 | TDP1 (0.54) | TDP1KMT2ASLC6A2SLC6A3MMP2 | |
| SCHEMBL9658266 | 0.71 | TDP1 (0.66) | TDP1KMT2ASLC6A2SLC6A3MMP2 | |
| SCHEMBL28172872 | 0.70 | MAOA (0.53) | KMT2AMMP2ALDH1A1L3MBTL1HPGD | |
| Benzyl Benzoate SCHEMBL3038 | 0.70 | KMT2A (1.00) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| Benzyl Benzoate SCHEMBL901058 | 0.70 | KMT2A (1.00) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| Benzyl Benzoate SCHEMBL8010992 | 0.70 | KMT2A (1.00) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL50441 | 0.70 | ALDH1A1 (0.89) | TDP1KMT2ASLC6A2SLC6A3MMP2 |
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-112094215-B | Method for synthesizing 3-aminopyrrolidine hydrochloride by one-pot method | 浙江工业大学 | 2021-09-24 | — | — | CN | disclosed |
| CN-112094215-A | Method for synthesizing 3-aminopyrrolidine hydrochloride by one-pot method | 浙江工业大学 | 2020-12-18 | — | — | CN | disclosed |