Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ARG1 | P05089 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL1829325 | 0.85 | ALDH1A1 (0.53) | ALDH1A1POLBKMT2ATLR8SMN1; SMN2 | |
| SCHEMBL1829860 | 0.80 | ALDH1A1 (0.47) | ALDH1A1POLBKMT2ATLR8SMN1; SMN2 | |
| SCHEMBL893369 | 0.75 | ALDH1A1 (0.59) | ALDH1A1POLBKMT2ATLR8SMN1; SMN2 | |
| SCHEMBL2960713 | 0.73 | ALDH1A1 (0.53) | ALDH1A1POLBKMT2ATLR8SMN1; SMN2 | |
| SCHEMBL3171422 | 0.72 | ALDH1A1 (0.51) | ALDH1A1POLBKMT2ATLR8SMN1; SMN2 | |
| SCHEMBL10352847 | 0.72 | TLR8 (0.61) | ALDH1A1POLBKMT2ATLR8SMN1; SMN2 | |
| SCHEMBL11151350 | 0.71 | POLB (0.36) | ALDH1A1POLBKMT2ATLR8SMN1; SMN2 | |
| SCHEMBL2488201 | 0.71 | ALDH1A1 (0.39) | ALDH1A1POLBKMT2ATLR8SMN1; SMN2 | |
| SCHEMBL27486503 | 0.71 | ALDH1A1 (0.54) | ALDH1A1POLBKMT2ATLR8SMN1; SMN2 | |
| SCHEMBL11050657 | 0.70 | ALDH1A1 (0.57) | ALDH1A1POLBKMT2ATLR8SMN1; 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 7 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 |
| 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 |