Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 3/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL113366 | 0.80 | CA1 (0.52) | F2PRSS1PRSS2PRSS3CA1 | |
| SCHEMBL1169963 | 0.72 | HTR1A (0.45) | HTR1AALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL1170455 | 0.72 | HTR1A (0.45) | HTR1AALDH1A1MEN1KMT2AMAPK1 | |
| Beta-Alanine SCHEMBL5777756 | 0.70 | FABP4 (0.50) | F2PRSS1PRSS2PRSS3CA1 | |
| Triethylene Glycol SCHEMBL10695052 | 0.69 | CA1 (0.45) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL9218786 | 0.69 | ALDH1A1 (0.50) | F2PRSS1PRSS2PRSS3CA1 | |
| SCHEMBL1322793 | 0.68 | CA2 (0.40) | F2PRSS1PRSS2PRSS3CA1 | |
| Di(Hydroxyethyl)Ether SCHEMBL28472606 | 0.66 | TSHR (0.59) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL9308498 | 0.66 | TP53 (0.49) | HTR1AALDH1A1MEN1KMT2AMAPK1 | |
| Pentaethylene Glycol SCHEMBL7519778 | 0.66 | ALDH1A1 (0.49) | CA1CA2MMP1MMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4764570-A | MODIFYING MELAMINE-FORMALDEHYDE RESINS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1988-08-16 | — | — | US | disclosed |