Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR known ✓ | P35968 | 3/20 | 0.39 |
| ▸ | AURKA | O14965 | 3/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.39 |
| ▸ | S100A4 | P26447 | 3/20 | 0.37 |
| ▸ | TDP2 | O95551 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | APAF1 | O14727 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.37 |
| ▸ | PTPRC | P08575 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL11321893 | 0.80 | MEN1 (0.46) | S100A4TDP2MEN1APAF1KMT2A | |
| SCHEMBL8076772 | 0.79 | SMN1; SMN2 (0.37) | AURKAKDRAURKBS100A4TDP2 | |
| SCHEMBL8076780 | 0.79 | SMN1; SMN2 (0.37) | AURKAKDRAURKBS100A4TDP2 | |
| SCHEMBL8065781 | 0.76 | PGAM1 (0.38) | SMN1; SMN2LMNAMAPTPLCG1MAPK1 | |
| Sulfuric Acid SCHEMBL3380495 | 0.71 | MAPT (0.59) | S100A4TDP2MEN1APAF1KMT2A | |
| Sulfuric Acid SCHEMBL2057392 | 0.69 | MAPT (0.56) | S100A4TDP2MEN1APAF1KMT2A | |
| SCHEMBL27615436 | 0.69 | PTGS2 (0.65) | MEN1KMT2ASMN1; SMN2LMNAKEAP1 | |
| Naphthalene SCHEMBL476327 | 0.66 | ALOX12 (0.50) | MEN1KMT2ASMN1; SMN2LMNAKEAP1 | |
| Phthalimide SCHEMBL7164645 | 0.65 | GSK3B (0.68) | MEN1APAF1KMT2ASMN1; SMN2LMNA | |
| Phthalimide SCHEMBL217772 | 0.65 | GSK3B (0.68) | MEN1APAF1KMT2ASMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6033826-A | POLYHYDROXYSTYRENE DERIVATIVE CONTAINING AN ACETAL OR KETAL GROUP WHICH CAN EASILY BE ELIMINATED IN THE PRESENCE OF AN ACID IN THE MOLECULE AND HAVING A VERY NARROW MOLECULAR WEIGHT DISTRIBUTION GIVES A RESIST MATERIAL | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2000-03-07 | — | — | US | disclosed |