Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of 1,3-Propanediol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| 1,4-Butanediol SCHEMBL2166639 | 0.94 | SMN1; SMN2 (0.36) | ATRALDH1A1CA2SMN1; SMN2 | |
| Ethylene Glycol SCHEMBL2165952 | 0.88 | CA2 (0.35) | CA2 | |
| 1,3-Propanediol SCHEMBL576409 | 0.88 | ALDH1A1 (0.39) | ATRALDH1A1CA2SMN1; SMN2 | |
| 1,3-Propanediol SCHEMBL7758303 | 0.88 | ALDH1A1 (0.39) | ATRALDH1A1CA2SMN1; SMN2 | |
| 1,4-Butanediol SCHEMBL15301979 | 0.82 | SMN1; SMN2 (0.44) | ATRALDH1A1CA2SMN1; SMN2 | |
| 1,4-Butanediol SCHEMBL130918 | 0.82 | SMN1; SMN2 (0.44) | ATRALDH1A1CA2SMN1; SMN2 | |
| Formic Acid SCHEMBL3796863 | 0.82 | — | — | |
| Formic Acid SCHEMBL2167741 | 0.82 | CA2 (0.44) | ALDH1A1CA2 | |
| 1,3-Propanediol SCHEMBL1399806 | 0.82 | — | — | |
| 1,4-Butanediol SCHEMBL2167602 | 0.81 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; 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-8383274-B2 | Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein | UBE INDUSTRIES, LTD. (JP) | 2013-02-26 | — | — | US | disclosed |
| US-20110183199-A1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN | UBE INDUSTRIES, LTD. (JP) | 2011-07-28 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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-20110183199-A1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN | HCN2, KCNN2, KCNB1 | ATR 3112/4885ALDH1A1 2190/4885CA2 737/4885 |
“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.