Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CUL4A | Q13619 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7386188 | 0.98 | MEN1 (0.32) | MEN1ALDH1A1MAPTKMT2AHPGD | |
| Hydrochloric Acid SCHEMBL7381012 | 0.81 | POLB (0.44) | MEN1ALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL15985167 | 0.74 | SLC6A4 (0.41) | ALOX15SMN1; SMN2FDPSSIGMAR1CYP3A4 | |
| SCHEMBL27503510 | 0.73 | — | — | |
| SCHEMBL6811876 | 0.73 | KDM4E (0.36) | MEN1ALDH1A1MAPTKMT2AHSD17B10 | |
| SCHEMBL4029542 | 0.73 | TKT (0.30) | — | |
| SCHEMBL234864 | 0.73 | CYP3A4 (0.53) | MEN1ALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL2305264 | 0.70 | HSD17B10 (0.37) | MEN1ALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL940620 | 0.69 | — | — | |
| SCHEMBL8707913 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |