Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | IDH2 | P48735 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | ALPG | P10696 | 1/20 | 0.44 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1692066 | 0.82 | IDH2 (0.50) | LMNASMN1; SMN2NPSR1IDH2ESR1 | |
| SCHEMBL16015949 | 0.81 | IDH2 (0.44) | LMNASMN1; SMN2NPSR1GAAIDH2 | |
| SCHEMBL9114392 | 0.77 | CYP1A2 (0.54) | LMNASMN1; SMN2NPSR1GAACYP1A2 | |
| SCHEMBL12870821 | 0.76 | ESR1 (0.64) | LMNASMN1; SMN2NPSR1KMT2AMEN1 | |
| SCHEMBL12523522 | 0.74 | P2RX3 (0.41) | LMNASMN1; SMN2NPSR1IDH2CYP1A2 | |
| SCHEMBL16015948 | 0.74 | IDH2 (0.37) | LMNASMN1; SMN2NPSR1IDH2CYP1A2 | |
| SCHEMBL1691640 | 0.73 | IDH2 (0.44) | LMNASMN1; SMN2IDH2 | |
| SCHEMBL1692063 | 0.73 | IDH2 (0.41) | LMNASMN1; SMN2IDH2 | |
| SCHEMBL13034405 | 0.72 | KMT2A (0.96) | KMT2AMEN1GAAMAPK1KDM4E | |
| SCHEMBL11403184 | 0.71 | LMNA (0.47) | LMNASMN1; SMN2NPSR1KMT2AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5616708-A | CHEMICAL INTERMEDIATES | SHELL RESEARCH LIMITED (GB) | 1997-04-01 | — | — | US | disclosed |
| US-5599818-A | A 3-(PYRIMIDIN-2-YL-AMINOALKYL-)-1-OXA OR 1,4-DIOXASPIRO-4.(5 TO 8)ALKANE(9 TO 12 C'S); PATHOGENIC FUNGI; CROPS | SHELL RESEARCH LIMITED (GB) | 1997-02-04 | — | — | US | disclosed |
| US-5462944-A | Applying spiroheterocyclic compounds | SHELL RESEARCH LIMITED (GB) | 1995-10-31 | — | — | US | disclosed |
| EP-0623613-A1 | Fungicidal spiroheterocyclic compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1994-11-09 | — | — | EP | disclosed |