Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 2/20 | 0.55 |
| ▸ | ACR | P10323 | 2/20 | 0.55 |
| ▸ | ESR1 | P03372 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.54 |
| ▸ | TACR2 | P21452 | 2/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | SHBG | P04278 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9650045 | 1.00 | PRSS1 (0.55) | PRSS1ACRESR1LMNAADRA2A | |
| SCHEMBL21400315 | 0.95 | THRB (0.56) | PRSS1ACRLMNAALDH1A1CYP3A4 | |
| SCHEMBL10801643 | 0.92 | ESR1 (0.63) | PRSS1ACRESR1LMNAADRA2A | |
| SCHEMBL2433669 | 0.92 | ESR1 (0.63) | PRSS1ACRESR1LMNAADRA2A | |
| SCHEMBL9578514 | 0.92 | ESR1 (0.63) | PRSS1ACRESR1LMNAADRA2A | |
| SCHEMBL9735349 | 0.92 | ESR1 (0.63) | PRSS1ACRESR1LMNAADRA2A | |
| SCHEMBL20102623 | 0.91 | PRSS1 (0.56) | PRSS1ACRLMNACYP3A4THRB | |
| SCHEMBL28921724 | 0.91 | LMNA (0.60) | PRSS1ACRESR1LMNAADRA2A | |
| SCHEMBL2865085 | 0.91 | LMNA (0.60) | PRSS1ACRESR1LMNAADRA2A | |
| SCHEMBL20102626 | 0.89 | PRSS1 (0.53) | PRSS1ACRLMNACYP3A4THRB |
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-5139696-A | Hydrogen-bonded liquid crystal complexes | CORNELL RESEARCH FOUNDATION, INC. (US) | 1992-08-18 | — | — | US | disclosed |
| US-5037574-A | Hydrogen-bonded liquid crystal complexes | CORNELL RESEARCH FOUNDATION, INC. (US) | 1991-08-06 | — | — | US | disclosed |