Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28108198 | 0.91 | TDP1 (0.35) | TSHRTDP1MEN1POLBKMT2A | |
| Acetic Acid SCHEMBL460076 | 0.91 | TDP1 (0.35) | TSHRTDP1MEN1POLBKMT2A | |
| Acetic Acid SCHEMBL27627871 | 0.89 | FFAR3 (0.39) | TSHRTDP1MEN1POLBKMT2A | |
| Acetic Acid SCHEMBL131569 | 0.89 | FFAR3 (0.39) | TSHRTDP1MEN1POLBKMT2A | |
| 1-Pentanol SCHEMBL27843662 | 0.88 | TSHR (0.47) | TSHRMEN1KMT2AALDH1A1LMNA | |
| Acetic Acid SCHEMBL8953871 | 0.86 | TDP1 (0.37) | TSHRTDP1MEN1POLBKMT2A | |
| Acetic Acid SCHEMBL667791 | 0.86 | TDP1 (0.37) | TSHRTDP1MEN1POLBKMT2A | |
| 1,3-Propanediol SCHEMBL1773540 | 0.86 | CA1 (0.39) | TSHRMEN1POLBKMT2ACA1 | |
| Acetic Acid SCHEMBL4119712 | 0.83 | MEN1 (0.41) | TSHRTDP1MEN1POLBKMT2A | |
| Thioglycolic Acid SCHEMBL27627424 | 0.82 | TDP1 (0.31) | TSHRTDP1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001281845-A | PHOTORESIST RESIN COMPOSITION FOR PRINTED WIRING BOARD | DAICEL CHEM IND LTD | 2001-10-10 | — | — | JP | disclosed |
| JP-2001117241-A | RINSING SOLUTION FOR LITHOGRAPHY | DAICEL CHEM IND LTD | 2001-04-27 | — | — | JP | disclosed |
| JP-2001117242-A | CLEANER FOR LITHOGRAPHY | DAICEL CHEM IND LTD | 2001-04-27 | — | — | JP | disclosed |