Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4073539 | 0.86 | VDR (0.45) | VDRKMT2ATDP1BACE1NUDT1 | |
| SCHEMBL7148685 | 0.74 | VDR (0.39) | VDRKMT2ATDP1BACE1NUDT1 | |
| SCHEMBL19857776 | 0.74 | NPC1 (0.38) | VDRKDM4EALDH1A1 | |
| SCHEMBL22659127 | 0.70 | KMT2A (0.44) | KMT2ATDP1BACE1NUDT1TBXA2R | |
| SCHEMBL31174250 | 0.69 | VDR (0.48) | VDRKMT2ATDP1KDM4EALDH1A1 | |
| SCHEMBL900164 | 0.69 | VDR (0.48) | VDRKMT2ATDP1KDM4EALDH1A1 | |
| SCHEMBL31174248 | 0.69 | VDR (0.48) | VDRKMT2ATDP1KDM4EALDH1A1 | |
| SCHEMBL19863781 | 0.69 | TBXA2R (0.57) | VDRKMT2ATDP1TBXA2RKDM4E | |
| SCHEMBL25140338 | 0.68 | KMT2A (0.41) | KMT2ATDP1BACE1NUDT1TBXA2R | |
| SCHEMBL30013921 | 0.68 | KMT2A (0.41) | KMT2ATDP1BACE1NUDT1TBXA2R |
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-1317445-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002022600-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2002-03-21 | — | — | WO | disclosed |