Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.60 |
| ▸ | RAB9A | P51151 | 7/20 | 0.60 |
| ▸ | MEN1 | O00255 | 6/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | CASP3 | P42574 | 1/20 | 0.60 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.60 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.60 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.60 |
| ▸ | NAMPT | P43490 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.56 |
| ▸ | RELA | Q04206 | 3/20 | 0.56 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL3758934 | 0.88 | NPC1 (0.66) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL13059493 | 0.87 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL18473242 | 0.85 | NPC1 (0.59) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL13002103 | 0.84 | NPC1 (0.58) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4981741 | 0.82 | NPC1 (0.69) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL13058856 | 0.80 | RAB9A (0.59) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4979752 | 0.79 | NPC1 (0.69) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1820695 | 0.79 | RAB9A (0.70) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1820638 | 0.78 | NPC1 (0.71) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1822209 | 0.78 | NPC1 (0.67) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013032527-A1 | LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-03-07 | — | — | WO | disclosed |
| WO-2012031228-A2 | LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-03-08 | — | — | WO | disclosed |
| WO-2008031016-A2 | HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-03-13 | — | — | WO | disclosed |