Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CCR4 | P51679 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3504561 | 0.81 | ALDH1A1 (0.46) | ALDH1A1KMT2AHPGDLMNAKDM4E | |
| SCHEMBL8377107 | 0.76 | CYP1A2 (0.39) | ALDH1A1HTR2AHPGDLMNAPKM | |
| SCHEMBL8375998 | 0.74 | GAA (0.37) | ALDH1A1KMT2AHPGDLMNAPKM | |
| SCHEMBL6956977 | 0.72 | ACHE (0.39) | ALDH1A1KMT2AHTR1ADRD2HTR2A | |
| SCHEMBL8947062 | 0.71 | ACHE (0.42) | ALDH1A1HPGDLMNAKDM4EGAA | |
| SCHEMBL3505067 | 0.70 | ACHE (0.40) | ALDH1A1HTR1ADRD2HTR2AHPGD | |
| SCHEMBL8377217 | 0.70 | HTR2A (0.42) | KMT2ADRD2HTR2AGAATDP1 | |
| SCHEMBL8376040 | 0.70 | DRD3 (0.40) | ALDH1A1HPGDLMNAPKMHTT | |
| SCHEMBL6951008 | 0.69 | HRH3 (0.41) | ALDH1A1KMT2ADRD2HTR2AHRH3 | |
| SCHEMBL3504318 | 0.68 | ACHE (0.41) | ALDH1A1KMT2AHPGDLMNAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994012495-A1 | SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1994-06-09 | — | — | WO | disclosed |