Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | BRD1 | O95696 | 1/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.41 |
| ▸ | SOS1 | Q07889 | 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 | |
|---|---|---|---|---|
| SCHEMBL4126980 | 0.94 | POLB (0.48) | VCAM1ALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL19010396 | 0.90 | TSHR (0.49) | VCAM1ALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL30838118 | 0.87 | VCAM1 (0.57) | VCAM1HTR6ALDH1A1POLBMAPT | |
| SCHEMBL4318681 | 0.87 | VCAM1 (0.57) | VCAM1HTR6ALDH1A1POLBMAPT | |
| SCHEMBL20408989 | 0.86 | ALDH1A1 (0.47) | VCAM1ALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL31456176 | 0.85 | VCAM1 (0.55) | VCAM1HTR6ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL14932732 | 0.85 | ALDH1A1 (0.64) | HTR6ALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL4355804 | 0.81 | TSHR (0.54) | VCAM1ALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL4189942 | 0.79 | HTR2C (0.50) | VCAM1HTR6ALDH1A1MAPTPTGS2 | |
| SCHEMBL3757908 | 0.79 | PTGS2 (0.54) | PTGS2BRD1BRPF1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9855545-B2 | Porous cyclodextrin polymeric materials and methods of making and using same | CORNELL UNIVERSITY (US) | 2018-01-02 | — | — | US | disclosed |
| US-20170173560-A1 | POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME | NATIONAL SCIENCE FOUNDATION | 2017-06-22 | — | — | US | disclosed |