Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | RHEB | Q15382 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4402319 | 0.98 | NOTUM (0.42) | MMP3NOTUMCYP11B2KIF11RHEB | |
| SCHEMBL13411813 | 0.84 | ADH5 (0.36) | — | |
| SCHEMBL12536128 | 0.84 | CLK4 (0.45) | NOTUMGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL2028396 | 0.82 | ADH5 (0.32) | — | |
| SCHEMBL18424351 | 0.79 | KEAP1 (0.37) | CA12CA1CA2CA9MAPK14 | |
| SCHEMBL17254440 | 0.78 | ESR1 (0.33) | — | |
| SCHEMBL5784940 | 0.77 | CLK4 (0.49) | NOTUMGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL27513088 | 0.77 | — | — | |
| SCHEMBL6505461 | 0.76 | NR1H2 (0.41) | DGAT1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL6879531 | 0.75 | KDM4E (0.48) | MMP3MMP2 |
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-5463071-A | Tetrazole derivatives; useful for inhibiting undesirable cell aggregation | DR. KARL THOMAE GMBH (DE) | 1995-10-31 | — | — | US | disclosed |
| EP-0525629-A2 | 5-membered heterocycles, process for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1993-02-03 | — | — | EP | disclosed |