Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Lactic Acid SCHEMBL971160 | 0.86 | TP53 (0.61) | TP53CHRM1CHRM3CHRM2CHRM4 | |
| Methylmalonic Acid SCHEMBL5875079 | 0.86 | TP53 (0.38) | TP53CHRM1CHRM3CHRM2CHRM4 | |
| Methylmalonic Acid SCHEMBL5875075 | 0.86 | TP53 (0.38) | TP53CHRM1CHRM3CHRM2CHRM4 | |
| Isobutane SCHEMBL27500548 | 0.85 | CHRM2 (0.43) | TP53CHRM1CHRM3CHRM2CHRM4 | |
| Alanine SCHEMBL8601114 | 0.83 | SLC7A5 (0.42) | TP53GABRR1SLC7A5 | |
| SCHEMBL28240840 | 0.83 | LMNA (0.38) | TP53CHRM1CHRM3CHRM2CHRM4 | |
| Alanine SCHEMBL8601115 | 0.83 | SLC7A5 (0.42) | TP53GABRR1SLC7A5 | |
| Bromoethane SCHEMBL27453982 | 0.81 | — | — | |
| Bicarbonate SCHEMBL378701 | 0.81 | FFAR3 (0.44) | CHRM1CHRM3CHRM2CHRM4CHRM5 | |
| Bicarbonate SCHEMBL60768 | 0.81 | FFAR3 (0.44) | CHRM1CHRM3CHRM2CHRM4CHRM5 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1861364-B1 | PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION | C P PHARMACEUTICALS INTERNAT C V (US) | 2011-05-11 | — | — | EP | claimed |
| JP-2008533128-A | — | — | 2008-08-21 | — | — | JP | claimed |
| EP-1861364-A1 | PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION | Pfizer Science and Technology Ireland Limited (IE) | 2007-12-05 | — | — | EP | claimed |
| WO-2006097909-A1 | PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION | PFIZER SCIENCE AND TECHNOLOGY IRELAND LIMITED (IE) | 2006-09-21 | — | — | WO | claimed |
| CN-109836404-B | Epirubicin hydrochloride intermediate compound | 鲁南制药集团股份有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-109836465-B | Method for preparing epirubicin hydrochloride | 鲁南制药集团股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-109836465-A | A method of preparing epirubicin hydrochloride | 鲁南制药集团股份有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-109836404-A | Intermediate of epirubicin hydrochloride compound | 鲁南制药集团股份有限公司 | 2019-06-04 | — | — | CN | disclosed |
| EP-1861364-B1 | PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION | C P PHARMACEUTICALS INTERNAT C V (US) | 2011-05-11 | — | — | EP | disclosed |
| EP-1861364-A1 | PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION | Pfizer Science and Technology Ireland Limited (IE) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006097909-A1 | PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION | PFIZER SCIENCE AND TECHNOLOGY IRELAND LIMITED (IE) | 2006-09-21 | — | — | WO | disclosed |
| US-5945518-A | Process for the preparation of anthracycline antibiotics | Sicor Societa' Italiana Corticosteroida S.p.A. (IT) | 1999-08-31 | — | — | US | disclosed |
| EP-0819132-B1 | A PROCESS FOR THE PREPARATION OF ANTHRACYCLINE ANTIBIOTICS | SICOR SPA (IT) | 1999-06-09 | — | — | EP | disclosed |
| EP-0395681-B1 | TRIETHYLAMINE CATALYZED NEOPENTYL GLYCOL PRODUCTION UTILIZING A GAS SPARGED REACTOR | EASTMAN KODAK CO (US) | 1994-02-09 | — | — | EP | disclosed |
| EP-0395681-A1 | TRIETHYLAMINE CATALYZED NEOPENTYL GLYCOL PRODUCTION UTILIZING A GAS SPARGED REACTOR. | EASTMAN KODAK CO (US) | 1990-11-07 | — | — | EP | disclosed |
| US-4851592-A | ALDOL CONDENSATION OF ISOBUTYRALDEHYDE AND FORMALDEHYDE; HYDROGENATION OF HYDROXYPIVALDEHYDE WITH RANEY NICKEL; BY-PRODUCT INHIBITION | EASTMAN KODAK COMPANY (US) | 1989-07-25 | — | — | US | disclosed |
| WO-1989003814-A1 | TRIETHYLAMINE CATALYZED NEOPENTYL GLYCOL PRODUCTION UTILIZING A GAS SPARGED REACTOR | EASTMAN KODAK COMPANY (US) | 1989-05-05 | — | — | WO | disclosed |