Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.67 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.67 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.67 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
| ▸ | AGXT | P21549 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL229067 | 1.00 | PTGS1 (0.67) | PTGS1AKR1C3AKR1C2CTBP2CYP1A2 | |
| SCHEMBL8218805 | 0.98 | CTBP2 (0.65) | PTGS1AKR1C3AKR1C2CTBP2CYP1A2 | |
| Hydrochloric Acid SCHEMBL8693464 | 0.98 | CTBP2 (0.65) | PTGS1AKR1C3AKR1C2CTBP2CYP1A2 | |
| SCHEMBL8784786 | 0.93 | CTBP2 (0.60) | PTGS1AKR1C3AKR1C2CTBP2CYP1A2 | |
| SCHEMBL4207967 | 0.90 | PTGS1 (0.59) | PTGS1AKR1C3AKR1C2CTBP2CYP1A2 | |
| SCHEMBL5623103 | 0.89 | CTBP2 (0.56) | PTGS1AKR1C3AKR1C2CTBP2CYP1A2 | |
| SCHEMBL4071390 | 0.87 | CTBP2 (0.64) | CTBP2CYP1A2MEN1KMT2AUSP2 | |
| SCHEMBL7164925 | 0.86 | USP2 (0.62) | PTGS1AKR1C3AKR1C2CTBP2MEN1 | |
| SCHEMBL11621845 | 0.86 | CTBP2 (0.63) | CTBP2CYP1A2LMNAMEN1KMT2A | |
| SCHEMBL6670971 | 0.86 | CTBP2 (0.68) | PTGS1AKR1C3AKR1C2CTBP2CYP1A2 |
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-114981241-A | Novel compound, preparation method and application thereof | 大邱庆北尖端医疗产业振兴财团 | 2022-08-30 | — | — | CN | disclosed |