Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 7/20 | 0.52 |
| ▸ | TACR1 | P25103 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CCKBR | P32239 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8947960 | 0.98 | DPP4 (0.52) | DPP4TACR1MAPTLMNACCKBR | |
| SCHEMBL8947965 | 0.92 | DPP4 (0.52) | DPP4TACR1MAPTLMNAMAPK8 | |
| SCHEMBL8947951 | 0.90 | DPP4 (0.61) | DPP4TACR1MAPTLMNACCKBR | |
| SCHEMBL8947984 | 0.90 | DPP4 (0.53) | DPP4TACR1MAPTLMNAMAPK8 | |
| Hydrochloric Acid SCHEMBL8947831 | 0.90 | DPP4 (0.60) | DPP4TACR1MAPTLMNACCKBR | |
| Hydrochloric Acid SCHEMBL8947929 | 0.90 | DPP4 (0.52) | DPP4TACR1MAPTLMNAMAPK8 | |
| SCHEMBL8948130 | 0.89 | DPP4 (0.52) | DPP4TACR1MAPTLMNAMAPK8 | |
| SCHEMBL8947887 | 0.89 | DPP4 (0.52) | DPP4TACR1MAPTLMNAMAPK8 | |
| Hydrochloric Acid SCHEMBL8948054 | 0.88 | DPP4 (0.51) | DPP4TACR1MAPTLMNAMAPK8 | |
| Hydrochloric Acid SCHEMBL8948140 | 0.88 | DPP4 (0.51) | DPP4TACR1MAPTLMNAMAPK8 |
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-5527811-A | CALCIUM- AND SUBSTANCE P RECEPTOR-ANTAGONIST ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-18 | — | — | US | disclosed |
| EP-0634402-A1 | Isochinolinone derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1995-01-18 | — | — | EP | disclosed |