Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11340707 | 0.93 | KDR (0.45) | BRAFNPC1RAB9ACYP1A2CA12 | |
| SCHEMBL10909451 | 0.87 | TNNI3 (0.46) | BRAFNPC1RAB9ACYP1A2CA12 | |
| SCHEMBL10907419 | 0.85 | BRAF (0.40) | BRAFCYP1A2KDRCSF1RENPP2 | |
| SCHEMBL10909173 | 0.83 | LMNA (0.41) | BRAFCYP1A2CA12CA1CA2 | |
| SCHEMBL10907904 | 0.83 | KMT2A (0.47) | CYP1A2KDRALDH1A1MAPTPOLB | |
| SCHEMBL10909458 | 0.83 | SNCA (0.42) | BRAFCYP1A2KDRALDH1A1LMNA | |
| SCHEMBL10909698 | 0.83 | MEN1 (0.45) | BRAFCYP1A2KDRALDH1A1LMNA | |
| SCHEMBL10907522 | 0.83 | HPSE (0.41) | BRAFCYP1A2KDRENPP2ALDH1A1 | |
| SCHEMBL10996673 | 0.82 | TIMP3 (0.46) | CA12CA1CA2CA9ENPP2 | |
| SCHEMBL10907476 | 0.82 | TIMP3 (0.46) | BRAFRAB9ACYP1A2KDRBTK |
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-4599204-A | Oxalylamides useful as dental antiplaque agents and inhibitors of connective tissue destruction | AMERICAN CYANAMID COMPANY (US) | 1986-07-08 | — | — | US | disclosed |