Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | PKLR | P30613 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL771831 | 1.00 | TGFBR1 (0.37) | TGFBR1CA12CA1CA2CA3 | |
| SCHEMBL27693753 | 0.79 | CAD (0.38) | KMT2AMAPTALOX15SMN1; SMN2LMNA | |
| SCHEMBL27952437 | 0.78 | TGFBR1 (0.36) | TGFBR1MMEKDM4EMAPTTHRB | |
| Fluoride SCHEMBL7158831 | 0.77 | GRN (0.46) | TGFBR1MEN1KMT2A | |
| SCHEMBL26220216 | 0.76 | — | — | |
| SCHEMBL516204 | 0.76 | — | — | |
| SCHEMBL29956040 | 0.76 | — | — | |
| SCHEMBL5328100 | 0.76 | — | — | |
| SCHEMBL2600862 | 0.76 | — | — | |
| SCHEMBL2332096 | 0.76 | — | — |
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-5077427-A | PREPARATION OF ALPHA-FORMYLAMINO NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 1991-12-31 | — | — | US | disclosed |
| CN-86107574-A | Compositions containing penem or carbapenem antibiotics and their use | — | 1987-05-20 | — | — | CN | disclosed |