Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3 | P19429 | 1/20 | 0.46 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.46 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.46 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | LDLR | P01130 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11349822 | 0.93 | TNNI3 (0.46) | TNNI3TNNT2TNNC1HKDC1BRAF | |
| SCHEMBL10907979 | 0.87 | BRAF (0.42) | BRAFNPC1RAB9ACA12CA1 | |
| SCHEMBL10905522 | 0.85 | ENPP2 (0.42) | BRAFNPC1RAB9ACA12CA1 | |
| SCHEMBL10905262 | 0.84 | BRAF (0.40) | TNNI3TNNT2TNNC1HKDC1BRAF | |
| SCHEMBL10908534 | 0.84 | MAOB (0.40) | NPC1RAB9AALDH1A1LMNALDLR | |
| SCHEMBL10907419 | 0.83 | BRAF (0.40) | TNNI3TNNT2TNNC1HKDC1BRAF | |
| SCHEMBL10907741 | 0.83 | MEN1 (0.45) | BRAFALDH1A1LMNAPOLBMAPT | |
| SCHEMBL10907776 | 0.83 | TIMP3 (0.50) | TNNI3TNNT2TNNC1HKDC1CA12 | |
| SCHEMBL10905258 | 0.82 | TIMP3 (0.44) | TNNI3TNNT2TNNC1HKDC1BRAF | |
| SCHEMBL10908593 | 0.82 | NPC1 (0.43) | BRAFNPC1RAB9ACA12CA1 |
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 |