Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL3280089 | 0.83 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2TSHRMAPTKMT2A | |
| SCHEMBL28018915 | 0.82 | KDM4E (0.35) | ALDH1A1SMN1; SMN2TSHRMAPTKMT2A | |
| SCHEMBL28558812 | 0.82 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2TSHRMAPTKMT2A | |
| SCHEMBL5695370 | 0.78 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TSHRMAPTKMT2A | |
| SCHEMBL6708425 | 0.78 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TSHRMAPTKMT2A | |
| SCHEMBL15068247 | 0.77 | TSHR (0.43) | ALDH1A1SMN1; SMN2TSHRMAPTKMT2A | |
| SCHEMBL569156 | 0.77 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2TSHRMAPTKMT2A | |
| SCHEMBL4952777 | 0.77 | TSHR (0.56) | ALDH1A1SMN1; SMN2TSHRMAPTKMT2A | |
| SCHEMBL4073329 | 0.73 | SMN1; SMN2 (0.50) | ALDH1A1SMN1; SMN2TSHRMAPTKMT2A | |
| SCHEMBL11668092 | 0.72 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2349276-A2 | HIV INTEGRASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010042392-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2010-04-15 | — | — | WO | disclosed |
| WO-2010042391-A2 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-04-15 | — | — | WO | disclosed |
| EP-1453804-A2 | CCR-3 RECEPTOR ANTAGONISTS VII | F. Hoffmann-La Roche AG (CH) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003045917-A2 | CCR-3 RECEPTOR ANTAGONISTS VII | F. HOFFMANN-LAROCHE AG (CH) | 2003-06-05 | — | — | WO | disclosed |