Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6544164 | 0.79 | ALDH1A1 (0.41) | ALDH1A1TSHRHTT | |
| SCHEMBL7816528 | 0.75 | MAPT (0.35) | ALDH1A1MAPTDRD2DRD4OPRM1 | |
| SCHEMBL7465712 | 0.75 | ALDH1A1 (0.39) | ALDH1A1MAPTCYP2D6TSHR | |
| SCHEMBL7849294 | 0.74 | POLB (0.36) | ALDH1A1MAPTKCNA3HTTGAA | |
| SCHEMBL7849292 | 0.74 | POLB (0.36) | ALDH1A1MAPTKCNA3HTTGAA | |
| SCHEMBL8891542 | 0.72 | ALDH1A1 (0.34) | ALDH1A1MAPTDRD2DRD4OPRM1 | |
| SCHEMBL4558605 | 0.71 | KIF11 (0.48) | ALDH1A1MAPTDRD2DRD4OPRM1 | |
| SCHEMBL5495026 | 0.71 | ATM (0.55) | ALDH1A1DRD2DRD4OPRM1DRD3 | |
| SCHEMBL1341963 | 0.68 | DRD2 (0.59) | DRD2DRD4OPRM1DRD3CYP2D6 | |
| SCHEMBL9774391 | 0.68 | CASP1 (0.51) | ALDH1A1MAPTDRD2DRD4OPRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1129076-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS | ABBOTT LABORATORIES (US) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000029380-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS | ABBOTT LABORATORIES (US) | 2000-05-25 | — | — | WO | disclosed |
| US-5981521-A | USEFUL FOR TREATING VARIOUS HORMONE DEPENDENT DISEASES, INCLUDING PROSTATE CANCER, ENDOMETRIOSIS, UTERINE FIBROIDS, PRECOCIOUS PUBERTY, BENIGN PROSTATE HYPERTROPY AND IN VITRO FERTILIZATION | ABBOTT LABORATORIES (US) | 1999-11-09 | — | — | US | disclosed |