Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Valeric Acid. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 4/20 | 0.41 |
| ▸ | PPARD | Q03181 | 4/20 | 0.41 |
| ▸ | PPARA | Q07869 | 4/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Valeric Acid SCHEMBL27767030 | 0.98 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1LMNAALB | |
| Hexanoate SCHEMBL8208200 | 0.94 | AKR1B1 (0.52) | ALDH1A1TSHRTDP1LMNAALB | |
| Undecanoate SCHEMBL7057712 | 0.92 | GPR84 (0.53) | ALDH1A1TSHRTDP1KMT2AAKR1B1 | |
| Octanoic Acid SCHEMBL8210287 | 0.92 | GPR84 (0.53) | ALDH1A1TSHRTDP1KMT2AAKR1B1 | |
| Stearic Acid SCHEMBL7019438 | 0.92 | GPR84 (0.53) | ALDH1A1TSHRTDP1KMT2AAKR1B1 | |
| Adipic Acid SCHEMBL5313716 | 0.90 | ALDH1A1 (0.50) | ALDH1A1TDP1LMNACYP2C9KMT2A | |
| Glutarate SCHEMBL31490757 | 0.90 | KMT2A (0.49) | ALDH1A1TSHRTDP1LMNACYP2C9 | |
| Hexanoate SCHEMBL8583304 | 0.89 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1LMNAALB | |
| Butyric Acid SCHEMBL9690701 | 0.88 | KMT2A (0.47) | ALDH1A1TSHRTDP1LMNACYP2C9 | |
| Valeric Acid SCHEMBL27883513 | 0.85 | TSHR (0.57) | ALDH1A1TSHRTDP1KMT2AAKR1B1 |
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-20130230501-A9 | Cycloalkyl-Substituted Imidazole Derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2013-09-05 | — | — | US | claimed |
| US-20130022587-A1 | Cycloalkyl-Substituted Imidazole Derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2013-01-24 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130022587-A1 | Cycloalkyl-Substituted Imidazole Derivative | F7, F12, TFPI | ALDH1A1 4432/4885TSHR 13/4885TDP1 177/4885 |
| US-20130230501-A9 | Cycloalkyl-Substituted Imidazole Derivative | F7, F12, TFPI | ALDH1A1 4432/4885TSHR 13/4885TDP1 177/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.