Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11072203 | 1.00 | ABL1 (0.38) | ABL1RIN1NAAAALDH1A1TP53 | |
| SCHEMBL11028194 | 0.93 | ABL1 (0.41) | ABL1RIN1NAAAALDH1A1TP53 | |
| SCHEMBL15759685 | 0.89 | TLR4 (0.33) | NAAAALDH1A1CES2CES1 | |
| SCHEMBL12985461 | 0.85 | PAOX (0.33) | — | |
| SCHEMBL11209157 | 0.83 | ABL1 (0.37) | ABL1RIN1ALDH1A1TP53CES2 | |
| SCHEMBL11209160 | 0.83 | ABL1 (0.37) | ABL1RIN1ALDH1A1TP53CES2 | |
| SCHEMBL11067501 | 0.81 | CYP1A2 (0.44) | ABL1RIN1TP53LMNAMEN1 | |
| SCHEMBL11067506 | 0.81 | CYP1A2 (0.44) | ABL1RIN1TP53LMNAMEN1 | |
| SCHEMBL2125601 | 0.79 | ABL1 (0.49) | ABL1RIN1NAAAALDH1A1TP53 | |
| SCHEMBL6141333 | 0.79 | — | — |
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-4462923-A | Disubstituted pyrimidines | HOFFMANN-LA ROCHE INC. (US) | 1984-07-31 | — | — | US | disclosed |