Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9425117 | 0.77 | TSHR (0.46) | TSHRSMN1; SMN2L3MBTL1KDM4EHTT | |
| SCHEMBL9425753 | 0.75 | TSHR (0.44) | TSHRSMN1; SMN2L3MBTL1KDM4EHTT | |
| SCHEMBL17229449 | 0.74 | SMN1; SMN2 (0.41) | TSHRSMN1; SMN2L3MBTL1KDM4EHTT | |
| SCHEMBL8827471 | 0.74 | TSHR (0.47) | TSHRSMN1; SMN2CES2L3MBTL1KDM4E | |
| SCHEMBL1401783 | 0.72 | ALDH1A1 (0.48) | TSHRCES2CES1L3MBTL1KDM4E | |
| SCHEMBL11709385 | 0.72 | KMT2A (0.50) | SMN1; SMN2L3MBTL1LMNAALDH1A1MAPT | |
| SCHEMBL503651 | 0.72 | SMN1; SMN2 (0.70) | TSHRSMN1; SMN2L3MBTL1ALDH1A1MAPT | |
| SCHEMBL9425574 | 0.71 | SMN1; SMN2 (0.41) | TSHRSMN1; SMN2CES2L3MBTL1KDM4E | |
| SCHEMBL12636212 | 0.70 | TSHR (0.47) | TSHRSMN1; SMN2L3MBTL1KDM4EHTT | |
| SCHEMBL3026303 | 0.70 | TSHR (0.47) | TSHRSMN1; SMN2L3MBTL1KDM4EHTT |
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-5360819-A | Nonradioactive labels which provide a ketone signal, vapor phase analysis | NORTHEASTERN UNIVERSITY (US) | 1994-11-01 | — | — | US | disclosed |