Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 7/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8331069 | 0.86 | CCR5 (0.39) | CCR5PTGS2SMN1; SMN2DPP4DPP9 | |
| SCHEMBL4682033 | 0.77 | PTGS2 (0.51) | PTGS2AKR1C3AKR1C2SMN1; SMN2ALOX5 | |
| SCHEMBL3674499 | 0.76 | PTGS2 (0.69) | PTGS2AKR1C3AKR1C2SMN1; SMN2ALOX5 | |
| SCHEMBL1691998 | 0.75 | SMYD3 (0.49) | CCR5SMN1; SMN2MEN1KMT2ASMYD3 | |
| SCHEMBL8335577 | 0.75 | SMYD3 (0.52) | PTGS2SMN1; SMN2SMYD3 | |
| SCHEMBL4682035 | 0.74 | PTGS2 (0.51) | PTGS2AKR1C3AKR1C2SMN1; SMN2 | |
| SCHEMBL8333192 | 0.71 | KCNQ2 (0.46) | CCR5DPP4DPP9MEN1KMT2A | |
| SCHEMBL6036650 | 0.71 | PTGS2 (0.41) | PTGS2AKR1C3AKR1C2SMN1; SMN2MEN1 | |
| SCHEMBL17896334 | 0.70 | CCR5 (0.55) | CCR5KMT2A | |
| SCHEMBL8332307 | 0.70 | ACHE (0.43) | CCR5DPP4DPP9MEN1KMT2A |
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-5889031-A | CONTROLLING CIRCADIAN RHYTHMS | BRISTOL-MYERS SQUIBB COMPNAY (US) | 1999-03-30 | — | — | US | disclosed |
| US-5753709-A | N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-05-19 | — | — | US | disclosed |