Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.80 |
| ▸ | CA4 | P22748 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 SCHEMBL710929 | 1.00 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL140521 | 0.95 | CA1 (0.89) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL8325465 | 0.95 | CA1 (0.89) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL9094660 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL3308697 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL25229790 | 0.90 | — | — | |
| Acetic Acid SCHEMBL5679308 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL15054471 | 0.90 | — | — | |
| Acetic Acid SCHEMBL1807958 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL465935 | 0.90 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8555897-B2 | Method of making a cigarette and method of reducing cytotoxicity in tobacco smoke | PHILIP MORRIS USA INC. (US) | 2013-10-15 | — | — | US | claimed |
| US-20120006340-A1 | INCORPORATION OF AMMONIA RELEASE COMPOUNDS IN SMOKING ARTICLES | PHILIP MORRIS USA INC. (US) | 2012-01-12 | — | — | US | claimed |
| US-8042552-B2 | Incorporation of ammonia-release compounds in smoking articles | PHILIP MORRIS USA INC. (US) | 2011-10-25 | — | — | US | claimed |
| WO-2007083196-A2 | INCORPORATION OF AMMONIA-RELEASE COMPOUNDS IN SMOKING ARTICLES | PHILIP MORRIS PRODUCTS S.A. (CH) | 2007-07-26 | — | — | WO | claimed |
| US-20070137666-A1 | Incorporation of ammonia-release compounds in smoking articles | PHILIP MORRIS USA INC. (US) | 2007-06-21 | — | — | US | claimed |
| JP-56012637-A | — | — | None | — | — | JP | disclosed |
| JP-55133032-A | — | — | None | — | — | JP | disclosed |
| JP-56016127-A | — | — | None | — | — | JP | disclosed |
| JP-56017349-A | — | — | None | — | — | JP | disclosed |
| JP-59017549-A | — | — | None | — | — | JP | disclosed |
| US-20190053533-A1 | INCORPORATION OF AMMONIA RELEASE COMPOUNDS IN SMOKING ARTICLES | PHILIP MORRIS USA (US) | 2019-02-21 | — | — | US | disclosed |
| US-20190053533-A1 | INCORPORATION OF AMMONIA RELEASE COMPOUNDS IN SMOKING ARTICLES | PHILIP MORRIS USA (US) | 2019-02-21 | — | — | US | disclosed |
| US-20070137666-A1 | Incorporation of ammonia-release compounds in smoking articles | PHILIP MORRIS USA INC. (US) | 2007-06-21 | — | — | US | disclosed |
| US-5476755-A | Exposing to light for development, heating for fixing and acid treatment; photoreduction of cobalt complex | KONICA CORPORATION (JP) | 1995-12-19 | — | — | US | disclosed |
| JP-S5917549-A | PHOTOCROSSLINKABLE COMPOSITION | RICOH CO LTD | 1984-01-28 | — | — | JP | disclosed |
| JP-S5617349-A | PHOTOSENSITIVE HEAT-SENSITIVE TYPE IMAGE FORMING METHOD | RICOH CO LTD | 1981-02-19 | — | — | JP | disclosed |
| JP-S5616127-A | PHOTOSENSITIVE HEAT-SENSITIVE COMPOSITION | RICOH CO LTD | 1981-02-16 | — | — | JP | disclosed |
| JP-S5612637-A | PHOTOSENSITIVE HEAT-SENSITIVE COMPOSITION | RICOH CO LTD | 1981-02-07 | — | — | JP | disclosed |
| JP-S55133032-A | PHOTOSENSITIVE COMPOSITION | RICOH CO LTD | 1980-10-16 | — | — | JP | disclosed |
| US-4173482-A | Dry image forming material containing an organic silver salt oxidizing agent, a reducing agent and a halogen molecule | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1979-11-06 | — | — | US | disclosed |