Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28912664 | 0.84 | ALDH1A1 (0.50) | TDP1PTGS2AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL893710 | 0.80 | CYP1B1 (0.61) | TSHRTDP1AKR1C1ALDH1A1MAPK1 | |
| SCHEMBL7793826 | 0.76 | CYP1B1 (0.68) | SMN1; SMN2TDP1ALDH1A1MAPTMAOB | |
| SCHEMBL7793829 | 0.76 | CYP1B1 (0.68) | SMN1; SMN2TDP1ALDH1A1MAPTMAOB | |
| SCHEMBL7448677 | 0.76 | TNFRSF1A (0.53) | SMN1; SMN2TDP1PTGS2POLBCYP2D6 | |
| SCHEMBL4414022 | 0.76 | MAPT (0.68) | SMN1; SMN2TDP1PTGS2POLBALDH1A1 | |
| SCHEMBL8037509 | 0.75 | CES2 (0.65) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL10968363 | 0.75 | TSHR (0.62) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| SCHEMBL28748742 | 0.75 | TSHR (0.62) | TSHRSMN1; SMN2TDP1PTGS2POLB | |
| Phosphine SCHEMBL1050309 | 0.73 | TSHR (0.94) | TSHRSMN1; SMN2TDP1POLBCYP2D6 |
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-114028347-B | Parixib sodium for injection and preparation method thereof | 海南皇隆制药股份有限公司 | 2023-05-12 | — | — | CN | disclosed |