Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.47 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.47 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.47 |
| ▸ | PRCP | P42785 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | PREP | P48147 | 6/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.42 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL9076807 | 1.00 | DPP4 (0.47) | DPP4DPP8DPP9DPP7PRCP | |
| SCHEMBL9075684 | 0.84 | HTT (0.54) | DPP4DPP8DPP9DPP7PRCP | |
| SCHEMBL9075679 | 0.84 | HTT (0.54) | DPP4DPP8DPP9DPP7PRCP | |
| SCHEMBL9074543 | 0.84 | F2 (0.60) | TGM2 | |
| SCHEMBL9074541 | 0.84 | F2 (0.60) | TGM2 | |
| SCHEMBL9076357 | 0.83 | ITGB3 (0.55) | DPP4DPP8DPP9DPP7PRCP | |
| SCHEMBL9076354 | 0.83 | ITGB3 (0.55) | DPP4DPP8DPP9DPP7PRCP | |
| SCHEMBL9077040 | 0.80 | F2 (0.54) | — | |
| SCHEMBL9077037 | 0.80 | F2 (0.54) | — | |
| SCHEMBL8603071 | 0.75 | DPP4 (0.58) | DPP4DPP8DPP9DPP7ITGB3 |
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-5583146-A | Heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-10 | — | — | US | disclosed |
| EP-0623596-A1 | N-acylpyrrolidines or N-acylpiperidines having a guanidinyl- or amidinyl-substituted side chain as thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-11-09 | — | — | EP | disclosed |