Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 14/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1579891 | 0.82 | TDP1 (0.39) | NOTUMTDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL6199383 | 0.81 | ERN1 (0.44) | TDP1MEN1KMT2AERN1 | |
| SCHEMBL28260284 | 0.80 | TDP1 (0.41) | TDP1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL18302341 | 0.78 | NOTUM (0.41) | NOTUMTDP1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL18506400 | 0.77 | NOTUM (0.40) | NOTUMTDP1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL2451187 | 0.76 | ALDH1A1 (0.45) | NOTUMTDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL9341597 | 0.76 | TDP1 (0.36) | NOTUMTDP1ERN1 | |
| SCHEMBL27817597 | 0.75 | NOTUM (0.67) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL6855166 | 0.74 | TDP1 (0.36) | TDP1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL1312057 | 0.73 | TDP1 (0.50) | TDP1ALDH1A1MEN1KMT2ALMNA |
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-5041683-A | Nuclear-fluorinated trifluoromethylbenzaldehydes | BAYER AKTIENGESELLSCHAFT (DE) | 1991-08-20 | — | — | US | disclosed |