Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 6/20 | 0.36 |
| ▸ | CTSB | P07858 | 5/20 | 0.36 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738402 | 0.80 | NOS2 (0.43) | NR1H2NR1H3 | |
| SCHEMBL7738409 | 0.80 | NOS2 (0.43) | NR1H2NR1H3 | |
| SCHEMBL2269093 | 0.76 | ACACB (0.54) | CAPN1CTSBCTRB1 | |
| SCHEMBL2267691 | 0.76 | ESR1 (0.47) | CAPN1CTSB | |
| SCHEMBL2268108 | 0.76 | ESR1 (0.47) | CAPN1CTSB | |
| SCHEMBL14542450 | 0.76 | CAPN1 (0.43) | CAPN1CTSBCTRB1 | |
| SCHEMBL2270660 | 0.76 | ACACB (0.54) | CAPN1CTSBCTRB1 | |
| SCHEMBL2270576 | 0.75 | ACACB (0.55) | CAPN1CTSB | |
| SCHEMBL2268714 | 0.75 | TDP1 (0.43) | CAPN1CTSBCTRB1 | |
| SCHEMBL2270864 | 0.75 | ACACB (0.55) | CAPN1CTSB |
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-6416861-B1 | COMBINATORIAL CHEMISTRY | NORTHWESTERN UNIVERSITY | 2002-07-09 | — | — | US | disclosed |
| WO-2000049022-A2 | ORGANOSILICON COMPOUNDS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2000-08-24 | — | — | WO | disclosed |