Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | FPR1 | P21462 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL19539757 | 0.92 | TSHR (0.52) | TSHRSMN1; SMN2ALDH1A1HSD17B10RAB9A | |
| SCHEMBL23336386 | 0.87 | TSHR (0.49) | TSHRSMN1; SMN2ALDH1A1HSD17B10RAB9A | |
| SCHEMBL25648819 | 0.85 | TSHR (0.42) | TSHRFPR1CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL21163305 | 0.85 | TSHR (0.42) | TSHRFPR1CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL18909735 | 0.83 | L3MBTL1 (0.46) | TSHRCYP3A4SMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL19932259 | 0.83 | HTR2B (0.48) | TSHRSMN1; SMN2ALDH1A1HSD17B10RAB9A | |
| SCHEMBL19662739 | 0.82 | RAB9A (0.45) | TSHRSMN1; SMN2ALDH1A1HSD17B10RAB9A | |
| SCHEMBL20798796 | 0.81 | MEN1 (0.43) | TSHRSMN1; SMN2ALDH1A1HSD17B10RAB9A | |
| SCHEMBL19987074 | 0.81 | TSHR (0.44) | TSHRSMN1; SMN2ALDH1A1HSD17B10RAB9A | |
| SCHEMBL19987073 | 0.81 | RAB9A (0.46) | TSHRCYP3A4SMN1; SMN2ALDH1A1HSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4879293-A | NERVOUS SYSTEM AND PSYCHOSOMATIC DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-11-07 | — | — | US | disclosed |
| US-4788191-A | ANTIANXIETY AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-11-29 | — | — | US | disclosed |
| US-4590189-A | ANTIANXIETY AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1986-05-20 | — | — | US | disclosed |
| EP-0091241-A2 | Condensed pyrrolinone derivatives, and their production | Takeda Chemical Industries, Ltd. (JP) | 1983-10-12 | — | — | EP | disclosed |