Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.59 |
| ▸ | CA2 | P00918 | 4/20 | 0.59 |
| ▸ | CA9 | Q16790 | 3/20 | 0.59 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ALOX5AP | P20292 | 5/20 | 0.50 |
| ▸ | FEN1 | P39748 | 5/20 | 0.50 |
| ▸ | F10 | P00742 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.47 |
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL28203702 | 0.93 | CA1 (0.56) | CA1CA2CA9GSTP1LMNA | |
| SCHEMBL8350056 | 0.82 | CA1 (0.54) | CA1CA2CA9ALOX5APFEN1 | |
| SCHEMBL9507935 | 0.82 | GSTP1 (0.53) | CA1CA2CA9GSTP1LMNA | |
| SCHEMBL28405839 | 0.82 | GSTP1 (0.53) | CA1CA2CA9GSTP1LMNA | |
| SCHEMBL31234464 | 0.78 | CA12 (0.60) | CA1CA2CA9ALOX5APFEN1 | |
| SCHEMBL31234556 | 0.78 | CA2 (0.52) | CA2ALOX5APFEN1TRPV1 | |
| SCHEMBL23093501 | 0.77 | PTGS2 (0.53) | CA1CA2CA9ALOX5APFEN1 | |
| Hydrochloric Acid SCHEMBL5990969 | 0.77 | CA2 (0.51) | CA2ALOX5APFEN1TRPV1 | |
| SCHEMBL48885 | 0.77 | CA2 (0.52) | CA1CA2CA9ALOX5APFEN1 | |
| SCHEMBL6185772 | 0.76 | ALOX5AP (0.51) | CA1CA2CA9ALOX5APFEN1 |
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-109420525-B | Metal iridium catalyst of 2, 2' -bis-benzimidazole ligand and method for synthesizing N-methylated primary amine by using metal iridium catalyst | 南京理工大学 | 2021-10-08 | — | — | CN | disclosed |
| US-4168375-A | Process for the recovery of cephalosporin C and derivatives thereof | ALFA FARMACEUTICI, S.P.A. (IT) | 1979-09-18 | — | — | US | disclosed |