Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18473811 | 0.74 | ALDH1A1 (0.45) | SMN1; SMN2NOTUMBLMALOX15TDP1 | |
| SCHEMBL643727 | 0.74 | SMN1; SMN2 (0.43) | SMN1; SMN2NOTUMBLMALOX15TDP1 | |
| SCHEMBL9346702 | 0.74 | TDP1 (0.43) | SMN1; SMN2NOTUMBLMALOX15TDP1 | |
| Hydrochloric Acid SCHEMBL9658601 | 0.72 | TDP1 (0.42) | SMN1; SMN2NOTUMBLMALOX15TDP1 | |
| SCHEMBL14334038 | 0.71 | TRIM24 (0.40) | SMN1; SMN2NOTUMGAAKMT2AALDH1A1 | |
| SCHEMBL15764332 | 0.68 | CA12 (0.44) | SMN1; SMN2NOTUMTDP1RAB9AGAA | |
| SCHEMBL14818674 | 0.68 | SMN1; SMN2 (0.39) | SMN1; SMN2NOTUMBLMALOX15TDP1 | |
| SCHEMBL5710422 | 0.67 | DAO (0.53) | SMN1; SMN2NOTUMBLMALOX15TDP1 | |
| SCHEMBL162194 | 0.66 | — | — | |
| SCHEMBL162193 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3456721-A2 | METHOD OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIVITORY ACTIVITY | Shionogi & Co., Ltd (JP) | 2019-03-20 | — | — | EP | disclosed |