Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | CDC25C | P30307 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5271758 | 0.89 | KDM4E (0.44) | ALDH1A1HSD17B10MAPTLMNAATM | |
| SCHEMBL5319556 | 0.88 | CYP3A4 (0.49) | TSHRCLEC4MCYP1A2CDC25BALDH1A1 | |
| SCHEMBL4725397 | 0.86 | KDM5B (0.43) | TSHRCYP1A2ALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL28588411 | 0.86 | KMT2A (0.39) | CYP1A2ALDH1A1HSD17B10MAPTTP53 | |
| SCHEMBL6170666 | 0.85 | TSHR (0.53) | TSHRCLEC4MCYP1A2CDC25BALDH1A1 | |
| SCHEMBL11830019 | 0.82 | ALDH1A1 (0.51) | TSHRCLEC4MCYP1A2CDC25BALDH1A1 | |
| SCHEMBL23294018 | 0.81 | ALDH1A1 (0.42) | ALDH1A1HSD17B10MAPTSMN1; SMN2LMNA | |
| SCHEMBL28790557 | 0.80 | PARP1 (0.54) | TSHRCYP1A2CDC25BALDH1A1HSD17B10 | |
| SCHEMBL6948237 | 0.79 | TSHR (0.50) | TSHRCLEC4MCDC25BALDH1A1HSD17B10 | |
| SCHEMBL4365104 | 0.78 | ELANE (0.42) | TSHRALDH1A1SMN1; SMN2TP53NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102220403-B | Method for preparing 7-ACCA | ZHANGJIAGANG XINYI CHEMICAL CO LTD | 2013-03-06 | — | — | CN | disclosed |
| CN-102220403-A | Method for preparing 7-ACCA | ZHANGJIAGANG XINYI CHEMICAL CO LTD | 2011-10-19 | — | — | CN | disclosed |
| WO-2003066626-A1 | DEUTERATED BIPHENYL-SUBSTITUTED BENZIMIDAZOLES AND MEDICAMENT CONTAINING SAID COMPOUNDS FOR THE TREATMENT OF HYPERTONIA | TURICUM DRUG DEVELOPMENT AG (CH) | 2003-08-14 | — | — | WO | disclosed |