Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MMP12 | P39900 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL249631 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL11349412 | 0.82 | CYP3A4 (0.46) | TSHRGRIN2BIDO1AGXTALDH1A1 | |
| SCHEMBL12026106 | 0.82 | MIF (0.33) | LMNATSHRALDH1A1HPGD | |
| SCHEMBL13814763 | 0.77 | BCL2 (0.57) | TAAR1LMNAIDO1AGXTMGLL | |
| SCHEMBL6143031 | 0.76 | TAAR1 (0.50) | TAAR1LMNAABCC4GAATSHR | |
| SCHEMBL27684886 | 0.76 | TAAR1 (0.50) | TAAR1LMNAABCC4GAATSHR | |
| SCHEMBL5987295 | 0.76 | TAAR1 (0.50) | TAAR1LMNAABCC4GAATSHR | |
| SCHEMBL4600494 | 0.76 | ALDH1A1 (0.47) | TAAR1LMNAABCC4GAATSHR | |
| SCHEMBL20195110 | 0.74 | FFAR1 (0.50) | TAAR1LMNAABCC4GAATSHR | |
| Water SCHEMBL27998963 | 0.74 | ALDH1A1 (0.45) | TAAR1LMNAABCC4GAATSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2635274-B1 | ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES | UNIV OHIO STATE RES FOUND (US) | 2017-12-06 | — | — | EP | disclosed |
| US-20110108793-A1 | JUNCTIONS COMPRISING MOLECULAR BILAYERS FOR THE USE IN ELECTRONIC DEVICES | SONY CORPORATION (JP) | 2011-05-12 | — | — | US | disclosed |