Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | ACE | P12821 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | MME | P08473 | 3/20 | 0.48 |
| ▸ | CPA1 | P15085 | 3/20 | 0.48 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.47 |
| ▸ | GPR34 | Q9UPC5 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30062839 | 1.00 | ALDH1A1 (0.57) | ALDH1A1ACECA2MMECPA1 | |
| SCHEMBL11150853 | 0.87 | ALDH1A1 (0.51) | ALDH1A1ACECA2MMECPA1 | |
| SCHEMBL12301662 | 0.85 | ALDH1A1 (0.46) | ALDH1A1ACECA2MMECPA1 | |
| SCHEMBL11409509 | 0.85 | ALDH1A1 (0.46) | ALDH1A1ACECA2CA12CA7 | |
| SCHEMBL14374198 | 0.85 | ALDH1A1 (0.46) | ALDH1A1ACECA2MMECPA1 | |
| SCHEMBL547121 | 0.85 | FOLH1 (0.61) | ACEMMECPA1ACE2FOLH1 | |
| SCHEMBL547122 | 0.85 | FOLH1 (0.61) | ACEMMECPA1ACE2FOLH1 | |
| SCHEMBL1287829 | 0.85 | FOLH1 (0.61) | ACEMMECPA1ACE2FOLH1 | |
| SCHEMBL25764849 | 0.85 | TDP1 (0.52) | ACEMMECPA1ACE2FOLH1 | |
| SCHEMBL1098155 | 0.85 | ALDH1A1 (0.62) | ALDH1A1ACECA2MMECPA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116178486-A | Asymmetric hydrogenation synthesis method and application of non-natural polypeptide | 西南大学 | 2023-05-30 | — | — | CN | disclosed |
| CN-107810189-B | Process for the preparation of nitrogen mustard derivatives | 肿瘤多肽股份公司 | 2022-02-11 | — | — | CN | disclosed |
| WO-2021093817-A1 | IMMUNOMODULATORY COMPOUNDS, COMPOSITION AND APPLICATION THEREOF | 杭州和正医药有限公司 | 2021-05-20 | — | — | WO | disclosed |
| US-8143052-B2 | Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium | UBE INDUSTRIES, LTD. (JP) | 2012-03-27 | — | — | US | disclosed |