Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GPR183 | P32249 | 5/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PYGL | P06737 | 5/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2897078 | 1.00 | NPC1 (0.41) | NPC1RAB9ATDP1MAPTSMN1; SMN2 | |
| SCHEMBL2897033 | 0.82 | NPC1 (0.48) | NPC1RAB9ATDP1MAPTSMN1; SMN2 | |
| SCHEMBL2897038 | 0.82 | NPC1 (0.48) | NPC1RAB9ATDP1MAPTSMN1; SMN2 | |
| SCHEMBL2897036 | 0.82 | NPC1 (0.48) | NPC1RAB9ATDP1MAPTSMN1; SMN2 | |
| SCHEMBL9551428 | 0.72 | NPC1 (0.48) | NPC1RAB9ATDP1MAPTSMN1; SMN2 | |
| SCHEMBL1556410 | 0.70 | RAB9A (0.62) | NPC1RAB9ATDP1MAPTSMN1; SMN2 | |
| SCHEMBL1556407 | 0.70 | RAB9A (0.62) | NPC1RAB9ATDP1MAPTSMN1; SMN2 | |
| SCHEMBL2904457 | 0.69 | RAB9A (0.48) | NPC1RAB9ATDP1MAPTSMN1; SMN2 | |
| SCHEMBL2904889 | 0.69 | NPC1 (0.54) | NPC1RAB9ATDP1MAPTSMN1; SMN2 | |
| SCHEMBL192124 | 0.67 | TTR (0.63) | MAPTSMN1; SMN2PYGLPTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010506-B1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2010-08-04 | — | — | EP | disclosed |