Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | NQO2 | P16083 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28331707 | 0.98 | CYP19A1 (0.43) | CYP19A1NQO2MAPTTDP1ALDH1A1 | |
| SCHEMBL6720583 | 0.81 | MAPT (0.41) | MAPTTDP1ALDH1A1LMNAACHE | |
| SCHEMBL1494033 | 0.77 | MAPT (0.38) | MAPTTDP1ALDH1A1LMNAACHE | |
| SCHEMBL31612960 | 0.77 | ACHE (0.39) | MAPTALDH1A1LMNAACHETUBB1 | |
| SCHEMBL31466902 | 0.77 | ACHE (0.39) | MAPTALDH1A1LMNAACHETUBB1 | |
| SCHEMBL1226775 | 0.77 | ALDH1A1 (0.46) | CYP19A1NQO2MAPTTDP1ALDH1A1 | |
| SCHEMBL29767819 | 0.77 | ALDH1A1 (0.46) | CYP19A1NQO2MAPTTDP1ALDH1A1 | |
| SCHEMBL31027936 | 0.75 | ALDH1A1 (0.44) | CYP19A1NQO2MAPTTDP1ALDH1A1 | |
| SCHEMBL4404407 | 0.75 | ALDH1A1 (0.44) | CYP19A1NQO2MAPTTDP1ALDH1A1 | |
| SCHEMBL17924632 | 0.74 | TUBB1 (0.41) | NQO2MAPTTDP1ALDH1A1LMNA |
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-110461860-A | CALICHEAMICIN DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF | PFIZER | 2019-11-15 | — | — | CN | disclosed |