Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | NPC1 | O15118 | 5/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.54 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL12447336 | 0.97 | CCR5 (0.61) | CCR5RAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL12447952 | 0.95 | RAB9A (0.61) | CCR5RAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL12447717 | 0.88 | NAMPT (0.57) | CCR5RAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL11178698 | 0.87 | ALDH1A1 (0.58) | CCR5RAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL19988362 | 0.85 | HTR2B (0.64) | CCR5RAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL3184817 | 0.83 | RAB9A (0.67) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL27842786 | 0.83 | RAB9A (0.67) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL3183827 | 0.83 | RAB9A (0.67) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL3183837 | 0.83 | RAB9A (0.67) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL10143901 | 0.80 | SIGMAR1 (0.67) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1786815-B1 | SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY | VIROCHEM PHARMA INC (CA) | 2011-08-24 | — | — | EP | disclosed |
| WO-2009092293-A1 | PYROLLIDINE-BASED COMPOUNDS | SHANGHAI TARGETDRUG CO., LTD. (CN) | 2009-07-30 | — | — | WO | disclosed |
| WO-2009089659-A1 | PYROLLIDINE-BASED COMPOUNDS | SHANGHAI TARGETDRUG CO., LTD. (CN) | 2009-07-23 | — | — | WO | disclosed |