Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | PNMT | P11086 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 3-Chloroaniline SCHEMBL28232008 | 0.91 | — | — | |
| 3-Chloroaniline SCHEMBL11817279 | 0.88 | ALDH1A1 (0.90) | ALDH1A1CYP3A4CASP1RECQLMAPT | |
| 3-Chloroaniline SCHEMBL5189307 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CASP1RECQLMAPT | |
| 3-Chloroaniline SCHEMBL33289 | 0.88 | — | — | |
| 3-Chloroaniline SCHEMBL4374014 | 0.85 | ALDH1A1 (0.94) | ALDH1A1CYP3A4CASP1RECQLMAPT | |
| 3-Chloroaniline SCHEMBL357404 | 0.85 | — | — | |
| Acetonitrile SCHEMBL3762985 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CYP3A4ADORA2AADORA1ADORA2B | |
| 3-Chloroaniline SCHEMBL28688528 | 0.85 | — | — | |
| 3-Chloroaniline SCHEMBL28001349 | 0.85 | ALDH1A1 (0.94) | ALDH1A1CYP3A4CASP1RECQLMAPT | |
| 3-Chloroaniline SCHEMBL2435038 | 0.85 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109912439-B | Method for continuously and rapidly preparing DL-phenylglycine and analogue thereof by using cyanohydrin method | 天宝动物营养科技股份有限公司 | 2022-09-23 | — | — | CN | disclosed |