Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL10444567 | 0.93 | TSHR (0.62) | PDE4BTSHRL3MBTL1KMT2ALMNA | |
| SCHEMBL941120 | 0.87 | TDP1 (0.62) | PDE4BTSHRNPC1RAB9AL3MBTL1 | |
| SCHEMBL9541227 | 0.84 | PDE4B (0.73) | PDE4BTSHRNPC1RAB9AL3MBTL1 | |
| SCHEMBL3841701 | 0.84 | HDAC1 (0.58) | PDE4BTSHRNPC1RAB9AL3MBTL1 | |
| SCHEMBL1533298 | 0.84 | NPC1 (0.72) | PDE4BTSHRNPC1RAB9AL3MBTL1 | |
| SCHEMBL7467309 | 0.84 | TSHR (0.52) | PDE4BTSHRNPC1RAB9AL3MBTL1 | |
| SCHEMBL6336402 | 0.84 | TDP1 (0.68) | NPC1RAB9AL3MBTL1HDAC8HDAC1 | |
| SCHEMBL9077880 | 0.82 | KMT2A (0.55) | PDE4BTSHRNPC1RAB9AHDAC8 | |
| SCHEMBL9077833 | 0.82 | HSD17B3 (0.66) | PDE4BTSHRNPC1RAB9AL3MBTL1 | |
| SCHEMBL6156819 | 0.82 | TDP1 (0.71) | NPC1RAB9AL3MBTL1HDAC8HDAC1 |
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-107628947-B | Preparation method of pemetrexed disodium key intermediate | 浙江工业大学 | 2020-07-28 | — | — | CN | disclosed |