Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.65 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.65 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10304923 | 1.00 | PTGS1 (0.65) | PTGS1PTGS2CA12CA1CA9 | |
| SCHEMBL12431380 | 0.89 | PTGS1 (0.61) | PTGS1PTGS2CA12CA1CA9 | |
| SCHEMBL14524636 | 0.83 | PTGS1 (0.54) | PTGS1PTGS2CA12CA1CA9 | |
| SCHEMBL7557931 | 0.83 | PTGS1 (0.62) | PTGS1PTGS2CA12CA1CA9 | |
| SCHEMBL5473691 | 0.82 | MAPK1 (0.54) | MAPTHPGDTSHRMEN1KMT2A | |
| SCHEMBL2470168 | 0.82 | MAPK1 (0.57) | POLBMAPTHPGDTSHRMEN1 | |
| SCHEMBL15928248 | 0.81 | TGM2 (0.75) | PTGS1PTGS2POLBMAPTTGM2 | |
| SCHEMBL2087913 | 0.81 | TSHR (0.55) | MAPTNPC1HPGDTSHRRAB9A | |
| SCHEMBL5010936 | 0.81 | KMT2A (0.68) | CA1CA9POLBHPGDMEN1 | |
| SCHEMBL28785152 | 0.80 | PTGS1 (0.64) | PTGS1PTGS2CA12CA1CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110746342-B | Preparation method of hydroxy lactam | 南方科技大学 | 2023-05-16 | — | — | CN | disclosed |
| CN-110734384-B | Preparation method of hydroxyamide | 南方科技大学 | 2022-09-20 | — | — | CN | disclosed |