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 | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.79 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | IKBKB | O14920 | 4/20 | 0.50 |
| ▸ | CHUK | O15111 | 4/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Dimethyl Sulfone SCHEMBL28171504 | 0.95 | BCAT2 (0.81) | BCAT2MEN1KMT2ASMN1; SMN2IKBKB | |
| SCHEMBL29427545 | 0.89 | BCAT2 (1.00) | BCAT2MEN1KMT2ASMN1; SMN2IKBKB | |
| SCHEMBL132986 | 0.89 | BCAT2 (1.00) | BCAT2MEN1KMT2ASMN1; SMN2IKBKB | |
| Hydrochloric Acid SCHEMBL5180095 | 0.87 | BCAT2 (0.96) | BCAT2MEN1KMT2ASMN1; SMN2IKBKB | |
| SCHEMBL28355265 | 0.87 | BCAT2 (0.96) | BCAT2MEN1KMT2ASMN1; SMN2IKBKB | |
| Methane SCHEMBL27520060 | 0.87 | BCAT2 (0.96) | BCAT2MEN1KMT2ASMN1; SMN2IKBKB | |
| Urea SCHEMBL28572437 | 0.87 | BCAT2 (0.96) | BCAT2MEN1KMT2ASMN1; SMN2IKBKB | |
| Ammonia Solution, Strong SCHEMBL28275782 | 0.87 | BCAT2 (0.96) | BCAT2MEN1KMT2ASMN1; SMN2IKBKB | |
| Hydrochloric Acid SCHEMBL1785690 | 0.87 | BCAT2 (0.96) | BCAT2MEN1KMT2ASMN1; SMN2IKBKB | |
| Hydrochloric Acid SCHEMBL27487444 | 0.87 | BCAT2 (0.96) | BCAT2MEN1KMT2ASMN1; SMN2IKBKB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101528223-B | New small molecule inhibitors of MDM2 and the uses thereof | UNIV MICHIGAN | 2013-05-01 | — | — | CN | disclosed |
| CN-101528223-A | New small molecule inhibitors of MDM2 and the uses thereof | UNIV MICHIGAN (US) | 2009-09-09 | — | — | CN | disclosed |
| EP-1633317-A4 | SYNTHETIC CHEMOKINE RECEPTOR LIGANDS AND METHODS OF USE THEREOF | INTERMUNE INC (US) | 2008-08-20 | — | — | EP | disclosed |
| EP-1633317-A2 | SYNTHETIC CHEMOKINE RECEPTOR LIGANDS AND METHODS OF USE THEREOF | Intermune, Inc. (US) | 2006-03-15 | — | — | EP | disclosed |
| WO-2005016241-A2 | SYNTHETIC CHEMOKINE RECEPTOR LIGANDS AND METHODS OF USE THEREOF | INTERMUNE, INC. (US) | 2005-02-24 | — | — | WO | disclosed |