Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9704945 | 0.78 | ALDH1A1 (0.44) | HTR1AALDH1A1MTNR1AHTR1B | |
| SCHEMBL9705995 | 0.77 | ALDH1A1 (0.46) | HTR1AALDH1A1MTNR1AHTR1B | |
| SCHEMBL9706011 | 0.77 | ALDH1A1 (0.52) | HTR1AALDH1A1MTNR1AKMT2A | |
| SCHEMBL9705345 | 0.77 | ALDH1A1 (0.43) | HTR1AALDH1A1MTNR1AHTR1B | |
| SCHEMBL9705320 | 0.75 | KDM4E (0.43) | HTR1AALDH1A1TDP1KMT2AHTR1B | |
| SCHEMBL11211176 | 0.75 | ALDH1A1 (0.49) | HTR1AALDH1A1TSHRKMT2A | |
| SCHEMBL11211145 | 0.75 | ALDH1A1 (0.49) | HTR1AALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9704917 | 0.74 | ALDH1A1 (0.41) | HTR1AALDH1A1MTNR1AHTR1B | |
| SCHEMBL13703505 | 0.74 | ALDH1A1 (0.43) | HTR1AALDH1A1MTNR1ATDP1ADRA1D | |
| SCHEMBL9704794 | 0.74 | ALDH1A1 (0.41) | HTR1AALDH1A1MTNR1ATSHRHTR1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0474323-A1 | Reducing chelants, their complexes with technetium and rhenium, method for their preparation and their use in diagnosis and therapy | INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH, c/o FU KLINIKUM RUDOLF VIRCHOW (DE) | 1992-03-11 | — | — | EP | disclosed |