Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Valine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.44 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 5/20 | 0.47 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL548941 | 0.85 | ACHE (0.54) | TACR1ACHEDRD4KMT2ADRD2 | |
| SCHEMBL1916659 | 0.84 | ACHE (0.56) | TACR1ACHEDRD4KMT2ADRD2 | |
| Bromide SCHEMBL2381446 | 0.75 | TACR1 (0.61) | TACR1ACHESIGMAR1 | |
| SCHEMBL731081 | 0.73 | TACR1 (0.62) | TACR1ACHESIGMAR1 | |
| Hydrochloric Acid SCHEMBL3156656 | 0.72 | ABL1 (0.56) | ACHEKMT2AABL1RIN1MEN1 | |
| SCHEMBL27799682 | 0.72 | KMT2A (0.52) | TACR1ACHEDRD4KMT2AABL1 | |
| SCHEMBL20274753 | 0.72 | ACHE (0.63) | TACR1ACHEDRD4ABL1RIN1 | |
| SCHEMBL4636684 | 0.72 | ACHE (0.62) | ACHEDRD4ABL1RIN1DRD2 | |
| SCHEMBL26096557 | 0.71 | ABL1 (0.54) | ACHEKMT2AABL1RIN1MEN1 | |
| SCHEMBL7810400 | 0.70 | ABL1 (0.56) | ACHEKMT2AABL1RIN1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6908926-B1 | Substituted imidazoles, their preparation and use | NOVO NORDISK A/S (DK) | 2005-06-21 | — | — | US | disclosed |
| EP-1173438-A1 | SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000063208-A1 | SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 2000-10-26 | — | — | WO | disclosed |