Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21935979 | 0.80 | CCR5 (0.57) | CCR5MAOBALDH1A1LMNAROCK2 | |
| SCHEMBL21622313 | 0.80 | CCR5 (0.57) | CCR5MAOBALDH1A1LMNAROCK2 | |
| SCHEMBL23924024 | 0.80 | CCR5 (0.57) | CCR5MAOBALDH1A1LMNAROCK2 | |
| SCHEMBL12505255 | 0.79 | OPRK1 (0.44) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL527519 | 0.78 | CCR5 (0.61) | CCR5MAOBALDH1A1ROCK2DRD2 | |
| SCHEMBL527518 | 0.78 | CCR5 (0.61) | CCR5MAOBALDH1A1ROCK2DRD2 | |
| SCHEMBL527520 | 0.78 | CCR5 (0.61) | CCR5MAOBALDH1A1ROCK2DRD2 | |
| SCHEMBL4399964 | 0.78 | RORC (0.50) | CCR5MAOBSIGMAR1S1PR5 | |
| SCHEMBL4413002 | 0.78 | RORC (0.50) | CCR5MAOBSIGMAR1S1PR5 | |
| SCHEMBL28932955 | 0.78 | F10 (0.53) | CCR5MAOBALDH1A1LMNASIGMAR1 |
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-103140484-B | Cyclic amine azaheterocyclic carboxamides | MERCK PATENT GMBH | 2015-04-22 | — | — | CN | disclosed |
| CN-103140484-A | Cyclic amine azaheterocyclic carboxamides | MERCK PATENT GMBH | 2013-06-05 | — | — | CN | disclosed |