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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9702514 | 0.91 | MAPT (0.37) | MAPTAPOBEC3ARECQLAPOBEC3GSMN1; SMN2 | |
| SCHEMBL9581003 | 0.75 | TOP2A (0.35) | TOP2ATOP2B | |
| SCHEMBL4263056 | 0.70 | MAPT (0.49) | MAPTAPOBEC3ARECQLAPOBEC3GSMN1; SMN2 | |
| SCHEMBL1831917 | 0.70 | — | — | |
| SCHEMBL6768281 | 0.67 | SMN1; SMN2 (0.57) | SMN1; SMN2KMT2AALDH1A1HTTMEN1 | |
| SCHEMBL224096 | 0.67 | TOP2A (0.41) | TOP2ATOP2B | |
| SCHEMBL14035187 | 0.67 | MAPT (0.46) | MAPTAPOBEC3ARECQLAPOBEC3GSMN1; SMN2 | |
| SCHEMBL11013504 | 0.67 | MAPT (0.42) | MAPTAPOBEC3ARECQLAPOBEC3GSMN1; SMN2 | |
| SCHEMBL9701359 | 0.67 | — | — | |
| Iodide SCHEMBL11306017 | 0.66 | MAPT (0.44) | MAPTAPOBEC3ARECQLAPOBEC3GSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5258381-A | Inhibitors of glycosylation of proteins, antiaging agents, discoloration inhibition of teeth and storage stability of foods | THE ROCKEFELLER UNIVERSITY (US) | 1993-11-02 | — | — | US | disclosed |
| WO-1992014704-A1 | 2-SUBSTITUTED-2-IMIDAZOLINES | THE ROCKEFELLER UNIVERSITY (US) | 1992-09-03 | — | — | WO | disclosed |