Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | DGKA | P23743 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18266869 | 0.92 | ALDH1A1 (0.55) | TSHRALDH1A1HTR2CLMNANAAA | |
| SCHEMBL27638433 | 0.89 | TSHR (0.61) | TSHRALDH1A1HTR2CADRA2AADRA1A | |
| SCHEMBL27869299 | 0.89 | ADRA2A (0.50) | TSHRALDH1A1HTR2CADRA2AADRA1A | |
| SCHEMBL26238717 | 0.87 | TSHR (0.58) | TSHRALDH1A1HTR2CADRA2AADRA1A | |
| SCHEMBL13343463 | 0.86 | ALDH1A1 (0.58) | TSHRALDH1A1HTR2CADRA2AADRA1A | |
| SCHEMBL12377230 | 0.86 | TSHR (0.62) | TSHRALDH1A1ADRA2AADRA1AKMT2A | |
| SCHEMBL11997756 | 0.85 | ALDH1A1 (0.47) | TSHRALDH1A1HTR2CADRA2AADRA1A | |
| SCHEMBL10749015 | 0.85 | TSHR (0.54) | TSHRALDH1A1HTR2CADRA2AADRA1A | |
| SCHEMBL429505 | 0.84 | TSHR (0.61) | TSHRALDH1A1HTR2CKMT2AMEN1 | |
| SCHEMBL7235711 | 0.84 | TSHR (0.67) | TSHRALDH1A1KMT2AMEN1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7211590-B2 | Nitrosated proton pump inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2007-05-01 | — | — | US | disclosed |