Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.68 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.68 |
| ▸ | SENP1 | Q9P0U3 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | THRA | P10827 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.49 |
| ▸ | USP5 | P45974 | 1/20 | 0.49 |
| ▸ | USP4 | Q13107 | 1/20 | 0.49 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.48 |
| ▸ | FNTA | P49354 | 1/20 | 0.47 |
| ▸ | FNTB | P49356 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.46 |
| ▸ | KLK1 | P06870 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL414384 | 0.93 | SENP1 (0.59) | CA2CAMK2ASENP1CYP19A1KMT2A | |
| SCHEMBL417739 | 0.87 | CYP19A1 (0.67) | CA2CAMK2ASENP1CYP19A1KMT2A | |
| SCHEMBL417740 | 0.87 | SENP1 (0.62) | CA2CAMK2ASENP1CYP19A1KMT2A | |
| SCHEMBL13893855 | 0.84 | KMT2A (0.68) | SENP1KMT2AHPGD | |
| SCHEMBL2353788 | 0.83 | CA2 (0.76) | CA2CAMK2AKMT2ATHRATHRB | |
| SCHEMBL8081742 | 0.83 | SENP1 (0.57) | CA2CAMK2ASENP1CYP19A1KMT2A | |
| SCHEMBL75700 | 0.82 | CA2 (1.00) | CA2CAMK2ATHRATHRBFNTA | |
| SCHEMBL21114405 | 0.82 | CA2 (1.00) | CA2CAMK2ATHRATHRBFNTA | |
| Hydrogen Peroxide SCHEMBL27765042 | 0.82 | CA2 (1.00) | CA2CAMK2ATHRATHRBFNTA | |
| Methane SCHEMBL6154008 | 0.80 | CA2 (0.95) | CA2CAMK2ATHRATHRBFNTA |
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 |
|---|---|---|---|---|---|---|---|
| US-20190214145-A1 | Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen | KUREK ITZHAK (US) | 2019-07-11 | — | — | US | disclosed |