Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30514761 | 0.86 | NPC1 (0.52) | SLC6A2SLC6A4KCNH2TRPM8TSHR | |
| SCHEMBL30804744 | 0.80 | TSHR (0.47) | SLC6A2SLC6A4KCNH2TSHRHPGD | |
| SCHEMBL10107580 | 0.80 | SLC6A4 (0.64) | SLC6A2SLC6A4KCNH2TRPM8TSHR | |
| SCHEMBL10293552 | 0.79 | POLB (0.51) | SLC6A2SLC6A4KCNH2TSHRHPGD | |
| Hydrochloric Acid SCHEMBL30956785 | 0.78 | POLB (0.53) | SLC6A2SLC6A4KCNH2TSHRHPGD | |
| SCHEMBL2541558 | 0.76 | CTSD (0.55) | PDE2ACTSDNPC1RAB9AL3MBTL1 | |
| SCHEMBL4661421 | 0.75 | HPGD (0.49) | SLC6A2SLC6A4KCNH2TRPM8TSHR | |
| SCHEMBL30804741 | 0.74 | USP30 (0.44) | TSHRHPGDNPC1RAB9AL3MBTL1 | |
| SCHEMBL24634050 | 0.74 | HTT (0.53) | HPGDPDE2ACTSDNPC1RAB9A | |
| SCHEMBL10107578 | 0.73 | KDM4E (0.60) | KCNH2TSHRMAPK1DRD2 |
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-2945636-A2 | SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | Signal Pharmaceuticals, LLC (US) | 2015-11-25 | — | — | EP | disclosed |
| WO-2014113429-A2 | SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARMACEUTICALS, LLC (US) | 2014-07-24 | — | — | WO | disclosed |