Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | STS | P08842 | 3/20 | 0.41 |
| ▸ | F13A1 | P00488 | 1/20 | 0.41 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | TGM1 | P22735 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL27587919 | 0.90 | NPC1 (0.56) | MMP13NPC1ALDH1A1MAPTMAPK1 | |
| SCHEMBL27587902 | 0.90 | MMP13 (0.48) | MMP13NPC1ALDH1A1MAPTMAPK1 | |
| SCHEMBL27587914 | 0.89 | NPC1 (0.45) | MMP13KMT2ANPC1ALDH1A1MAPT | |
| SCHEMBL28750646 | 0.88 | GPR119 (0.50) | MMP13NPC1ALDH1A1MAPTMAPK1 | |
| SCHEMBL28947867 | 0.81 | GPR119 (0.50) | MMP13NPC1ALDH1A1MAPTMAPK1 | |
| SCHEMBL27984560 | 0.81 | GPR119 (0.41) | MMP13NPC1ALDH1A1MAPTMAPK1 | |
| SCHEMBL4777810 | 0.77 | MMP13 (0.58) | MMP13MEN1KMT2AGPR119STS | |
| SCHEMBL27599520 | 0.75 | GPR119 (0.52) | MMP13MEN1KMT2AMAPTGPR119 | |
| SCHEMBL4393991 | 0.75 | MMP13 (0.55) | MMP13MEN1KMT2ANPC1ALDH1A1 | |
| SCHEMBL5934111 | 0.74 | MMP13 (0.60) | MMP13MEN1KMT2ANPC1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1390201-A | cyclic amine compounds as CCR5 antagonists | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-08 | — | — | CN | disclosed |