Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.52 |
| ▸ | BID | P55957 | 1/20 | 0.49 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | BAK1 | Q16611 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.46 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.46 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11199507 | 0.96 | DPP4 (0.52) | DPP4BIDBCL2L1MCL1BAK1 | |
| SCHEMBL8679928 | 0.87 | DPP4 (0.56) | DPP4MAOAMAOBPTGER1PTGER4 | |
| SCHEMBL31489838 | 0.87 | DPP4 (0.56) | DPP4MAOAMAOBPTGER1PTGER4 | |
| SCHEMBL12506252 | 0.87 | DPP4 (0.60) | DPP4BCL2L1PTGER1PTGER4PTGER3 | |
| Water SCHEMBL9113501 | 0.85 | DPP4 (0.54) | DPP4PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL6632390 | 0.83 | FFAR1 (0.49) | DPP4PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL11334269 | 0.83 | DPP4 (0.52) | DPP4BCL2L1PTGER1PTGER4PTGER3 | |
| SCHEMBL28604599 | 0.82 | BID (0.45) | DPP4BIDBCL2L1MCL1BAK1 | |
| SCHEMBL11333152 | 0.82 | DPP4 (0.65) | DPP4BCL2L1PTGER1PTGER4PTGER3 | |
| SCHEMBL5609224 | 0.82 | DPP4 (0.50) | DPP4PTGER1PTGER4PTGER3PTGER2 |
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-5516797-A | SUPPRESSING GRAFT REJECTION | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1996-05-14 | — | — | US | disclosed |
| US-5330993-A | Immunosuppressive compounds | VERTEX PHARMACEUTICALS, INC. (US) | 1994-07-19 | — | — | US | disclosed |