Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8701753 | 0.88 | NPC1 (0.42) | HTR2CNPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL8701759 | 0.88 | NPC1 (0.42) | HTR2CNPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL3295186 | 0.79 | HTR2C (0.40) | HTR2CNPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL8699834 | 0.79 | HTR2C (0.40) | HTR2CNPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL27589260 | 0.72 | NPC1 (0.41) | HTR2CNPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL2435139 | 0.71 | SMN1; SMN2 (0.46) | HTR2CNPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL13378377 | 0.70 | MEN1 (0.37) | MEN1KMT2AALDH1A1 | |
| SCHEMBL2430964 | 0.69 | SMN1; SMN2 (0.45) | HTR2CNPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL1365210 | 0.67 | ELANE (0.41) | HTR2CAGTR2PDK1PDK2PDK3 | |
| SCHEMBL4058433 | 0.67 | ALDH1A1 (0.50) | HTR2CNPC1RAB9ASMN1; SMN2GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888344-A1 | SPIROCYCLE INTEGRIN INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-01-07 | — | — | EP | disclosed |
| US-5760029-A | TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-02 | — | — | US | disclosed |
| WO-1997033887-A1 | SPIROCYCLE INTEGRIN INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-09-18 | — | — | WO | disclosed |