Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 10/20 | 0.33 |
| ▸ | CTSS | P25774 | 7/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL12936848 | 0.97 | CA1 (0.34) | CA1CA2CA7KMT2ACTSL | |
| SCHEMBL14899016 | 0.87 | CA1 (0.35) | CA1CA2CA7KMT2ACTSL | |
| SCHEMBL14216682 | 0.84 | CA1 (0.35) | CA1CA2CA7KMT2ACTSL | |
| SCHEMBL9509419 | 0.81 | CA1 (0.40) | CA1CA2CA7KMT2ACTSL | |
| SCHEMBL28269476 | 0.79 | CA1 (0.39) | CA1CA2CA7KMT2ACTSL | |
| SCHEMBL15105800 | 0.79 | CA1 (0.39) | CA1CA2CA7KMT2ACTSL | |
| SCHEMBL9825794 | 0.78 | CA1 (0.38) | CA1CA2CA7KMT2ACTSL | |
| SCHEMBL15105955 | 0.77 | CA1 (0.40) | CA1CA2CA7KMT2ACTSL | |
| SCHEMBL2377942 | 0.77 | CA1 (0.40) | CA1CA2CA7KMT2ACTSL | |
| SCHEMBL2377936 | 0.77 | CA1 (0.40) | CA1CA2CA7KMT2ACTSL |
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-RE44186-E1 | Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-30 | — | — | US | disclosed |
| US-RE44186-E1 | Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-30 | — | — | US | disclosed |