Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5554332 | 1.00 | ALDH1A1 (0.35) | ALDH1A1PTGS2CA12CA1CA2 | |
| SCHEMBL5800238 | 0.93 | PTGS2 (0.37) | ALDH1A1PTGS2MEN1KMT2AAKR1C3 | |
| SCHEMBL5800235 | 0.93 | PTGS2 (0.37) | ALDH1A1PTGS2MEN1KMT2AAKR1C3 | |
| SCHEMBL5808994 | 0.91 | PTGS2 (0.35) | PTGS2AKR1C3AKR1C2PSEN1PSEN2 | |
| SCHEMBL5808998 | 0.91 | PTGS2 (0.35) | PTGS2AKR1C3AKR1C2PSEN1PSEN2 | |
| SCHEMBL5824143 | 0.89 | APP (0.38) | PTGS2MEN1KMT2AAKR1C3AKR1C2 | |
| SCHEMBL5797670 | 0.89 | PTGS2 (0.43) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL5797673 | 0.89 | PTGS2 (0.43) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL5800263 | 0.88 | TSHR (0.39) | PTGS2AKR1C3AKR1C2PSEN1PSEN2 | |
| SCHEMBL5800266 | 0.88 | TSHR (0.39) | PTGS2AKR1C3AKR1C2PSEN1PSEN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1643961-A4 | COX-2 AND FAAH INHIBITORS | MICROBIA INC (US) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006050120-A2 | SYNTHESIS OF COX-2 AND FAAH INHIBITORS | MICROBIA, INC. (US) | 2006-05-11 | — | — | WO | disclosed |
| EP-1643961-A2 | COX-2 AND FAAH INHIBITORS | Microbia, Inc. (US) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005002525-A2 | COX-2 AND FAAH INHIBITORS | MICROBIA, INC. (US) | 2005-01-13 | — | — | WO | disclosed |