Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Nikethamide. 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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Nikethamide SCHEMBL29754232 | 0.92 | HTT (0.65) | HTTKDM4EHSD17B10ALDH1A1LMNA | |
| Nikethamide SCHEMBL246456 | 0.92 | HTT (0.65) | HTTKDM4EHSD17B10ALDH1A1LMNA | |
| Nikethamide SCHEMBL28425770 | 0.91 | HTT (0.63) | HTTKDM4EHSD17B10ALDH1A1LMNA | |
| Nikethamide SCHEMBL2477607 | 0.91 | HTT (0.63) | HTTKDM4EHSD17B10ALDH1A1LMNA | |
| Nikethamide SCHEMBL11145071 | 0.88 | HTT (0.64) | HTTKDM4EHSD17B10ALDH1A1LMNA | |
| Nikethamide SCHEMBL5964875 | 0.85 | F7 (0.67) | HTTKDM4EHSD17B10ALDH1A1LMNA | |
| SCHEMBL14855190 | 0.82 | HTT (0.61) | HTTKDM4EHSD17B10ALDH1A1LMNA | |
| SCHEMBL10599239 | 0.82 | HTT (0.57) | HTTKDM4EHSD17B10ALDH1A1LMNA | |
| SCHEMBL28527737 | 0.80 | HTT (0.57) | HTTKDM4EHSD17B10ALDH1A1LMNA | |
| SCHEMBL30476608 | 0.78 | HTT (0.63) | HTTKDM4EHSD17B10ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993012087-A1 | BIS(CARBAMOYLPIPERIDYL)ALKYLENES AS PLATELET AGGREGATION INHIBITORY AGENTS | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1993-06-24 | — | — | WO | disclosed |