Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | GBA1 | P04062 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8502710 | 0.81 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAKMT2ANPSR1 | |
| SCHEMBL10468985 | 0.80 | HTR1A (0.47) | ALDH1A1HTR6 | |
| SCHEMBL8901289 | 0.75 | HTR6 (0.47) | HTR6 | |
| SCHEMBL8851674 | 0.73 | ALDH1A1 (0.59) | ALDH1A1KDM4EKMT2ANPSR1TSHR | |
| SCHEMBL8731667 | 0.71 | MTNR1A (0.48) | ALDH1A1KDM4EGAANPSR1TSHR | |
| SCHEMBL301798 | 0.69 | ALDH1A1 (0.68) | ALDH1A1KDM4EGAANPSR1TSHR | |
| SCHEMBL27472540 | 0.69 | CRBN (0.56) | ALDH1A1KDM4EGAAHTR6 | |
| Bromide SCHEMBL28239189 | 0.69 | ALDH1A1 (0.64) | ALDH1A1KDM4EGAANPSR1TSHR | |
| SCHEMBL8730054 | 0.69 | TP53 (0.51) | ALDH1A1GAAKMT2ATBXA2R | |
| SCHEMBL22536968 | 0.69 | KDM4C (0.54) | GBA1HTR6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0807101-B1 | 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS | UPJOHN CO (US) | 2001-06-13 | — | — | EP | disclosed |
| US-5936000-A | 2-aminoindans as selective dopamine D3 ligands | PHARMACIA & UPJOHN COMPANY (US) | 1999-08-10 | — | — | US | disclosed |