Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL11618119 | 0.79 | SLC6A2 (0.53) | TSHRKMT2ABRD4SLC6A2SLC6A4 | |
| SCHEMBL28027961 | 0.75 | TSHR (0.44) | TSHRKMT2A | |
| SCHEMBL27262808 | 0.71 | TSHR (0.56) | TSHRKMT2ABRD4SLC6A2SLC6A4 | |
| SCHEMBL28028150 | 0.71 | SLC6A2 (0.46) | KMT2ASLC6A2SLC6A4SLC6A3ATM | |
| SCHEMBL5246352 | 0.70 | SLC6A2 (0.57) | SLC6A2SLC6A4SLC6A3ALDH1A1MAPK1 | |
| SCHEMBL5309449 | 0.69 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3MAPK1 | |
| SCHEMBL11645243 | 0.69 | DRD1 (0.56) | SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1 | |
| SCHEMBL10883366 | 0.69 | BRD4 (0.50) | TSHRKMT2ABRD4SLC6A2SLC6A4 | |
| SCHEMBL10258633 | 0.69 | SLC6A2 (0.44) | TSHRKMT2ABRD4SLC6A2SLC6A4 | |
| SCHEMBL11619884 | 0.68 | SLC6A2 (0.55) | TSHRKMT2ASLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104854108-A | Pyrrolotriazinone derivatives as pi3k inhibitors | ALMIRALL SA | 2015-08-19 | — | — | CN | claimed |
| CN-104854108-A | Pyrrolotriazinone derivatives as pi3k inhibitors | ALMIRALL SA | 2015-08-19 | — | — | CN | disclosed |