Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11864252 | 0.84 | AKR1B1 (0.53) | AKR1B1SMN1; SMN2KMT2AALDH1A1HPGD | |
| SCHEMBL11863668 | 0.84 | AKR1B1 (0.59) | AKR1B1SMN1; SMN2KMT2AALDH1A1HPGD | |
| SCHEMBL13235859 | 0.82 | AKR1B1 (0.47) | AKR1B1SMN1; SMN2KMT2AALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL11864257 | 0.82 | AKR1B1 (0.57) | AKR1B1SMN1; SMN2KMT2AALDH1A1HPGD | |
| SCHEMBL11567124 | 0.81 | NPC1 (0.46) | SMN1; SMN2ALDH1A1HTTMAOA | |
| SCHEMBL11856517 | 0.80 | AKR1B1 (0.46) | AKR1B1SMN1; SMN2KMT2AALDH1A1HPGD | |
| SCHEMBL9780678 | 0.74 | AKR1B1 (0.52) | AKR1B1SMN1; SMN2KMT2AALDH1A1HPGD | |
| SCHEMBL9780682 | 0.74 | AKR1B1 (0.52) | AKR1B1SMN1; SMN2KMT2AALDH1A1HPGD | |
| SCHEMBL1041082 | 0.74 | PNMT (0.56) | MAOATAAR1 | |
| SCHEMBL25735860 | 0.73 | ALPI (0.53) | AKR1B1POLBLMNACYP1A2PKM |
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-4145362-A | DIAZOTIZATION OF ARYLAMINE IN PRESENCE OF ALKANOIC ACID, COPPER HALIDE CATALYST | S.A. P R B EN NEERLANDAIS PRB N.V. (BE) | 1979-03-20 | — | — | US | disclosed |