Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.71 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 7/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.59 |
| ▸ | ATM | Q13315 | 3/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15317613 | 0.85 | TSHR (0.97) | TSHRSMN1; SMN2MAPK1SIRT6L3MBTL1 | |
| SCHEMBL27961705 | 0.79 | SIRT6 (1.00) | TSHRSMN1; SMN2MAPK1SIRT6L3MBTL1 | |
| SCHEMBL13727527 | 0.77 | KMT2A (0.62) | TSHRSMN1; SMN2MAPK1SIRT6L3MBTL1 | |
| Hydrochloric Acid SCHEMBL15465698 | 0.76 | KMT2A (0.64) | TSHRSMN1; SMN2MAPK1SIRT6L3MBTL1 | |
| SCHEMBL13727505 | 0.76 | SMN1; SMN2 (0.63) | TSHRSMN1; SMN2MAPK1SIRT6L3MBTL1 | |
| Hydrochloric Acid SCHEMBL15467204 | 0.75 | SMN1; SMN2 (0.65) | TSHRSMN1; SMN2MAPK1SIRT6L3MBTL1 | |
| SCHEMBL30903951 | 0.74 | KMT2A (0.97) | TSHRSMN1; SMN2MAPK1L3MBTL1MEN1 | |
| SCHEMBL31070622 | 0.73 | CHRNB2 (0.50) | SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL9958723 | 0.72 | MEN1 (0.69) | TSHRSMN1; SMN2MAPK1L3MBTL1MEN1 | |
| SCHEMBL15470483 | 0.72 | SMN1; SMN2 (0.64) | TSHRSMN1; SMN2MAPK1L3MBTL1MEN1 |
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-9493468-B2 | Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzo-diazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2016-11-15 | — | — | US | claimed |