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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.60 |
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3467436 | 0.91 | SMN1; SMN2 (0.66) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL15270803 | 0.83 | EPHX2 (0.58) | CA1CA2 | |
| SCHEMBL2730689 | 0.82 | SMN1; SMN2 (0.85) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL9868086 | 0.77 | TP53 (0.58) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL14543244 | 0.77 | SMN1; SMN2 (0.70) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL6466794 | 0.75 | ALDH1A1 (0.86) | SMN1; SMN2NPC1ALDH1A1MAPTCA12 | |
| SCHEMBL23771086 | 0.75 | MEN1 (0.78) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL19075242 | 0.75 | SMN1; SMN2 (0.68) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL13049648 | 0.75 | SMN1; SMN2 (1.00) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL22025937 | 0.75 | NPC1 (0.63) | SMN1; SMN2NPC1RAB9AHPGDKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1335908-A2 | PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS | ELI LILLY AND COMPANY (US) | 2003-08-20 | — | — | EP | disclosed |
| WO-2002038553-A2 | TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS | ELI LILLY AND COMPANY (US) | 2002-05-16 | — | — | WO | disclosed |