Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | DPP4 | P27487 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | FABP3 | P05413 | 1/20 | 0.45 |
| ▸ | FABP4 | P15090 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28586732 | 0.94 | ALDH1A1 (0.61) | TSHRPBRM1ALDH1A1DPP4CES2 | |
| SCHEMBL31356504 | 0.89 | TSHR (0.65) | TSHRPBRM1ALDH1A1DPP4CES2 | |
| SCHEMBL275485 | 0.89 | TSHR (0.65) | TSHRPBRM1ALDH1A1DPP4CES2 | |
| SCHEMBL5962987 | 0.88 | AKR1C3 (0.62) | TSHRPBRM1ALDH1A1CDC25BNR4A1 | |
| SCHEMBL27672860 | 0.87 | TSHR (0.63) | TSHRPBRM1ALDH1A1DPP4CES2 | |
| SCHEMBL28702990 | 0.87 | TSHR (0.63) | TSHRPBRM1ALDH1A1DPP4CES2 | |
| SCHEMBL7778738 | 0.87 | TSHR (0.63) | TSHRPBRM1ALDH1A1DPP4CES2 | |
| SCHEMBL11367294 | 0.87 | TSHR (0.63) | TSHRPBRM1ALDH1A1DPP4CES2 | |
| SCHEMBL1819616 | 0.85 | NR4A1 (0.69) | TSHRPBRM1ALDH1A1CDC25BNR4A1 | |
| Ethylene SCHEMBL29012536 | 0.85 | TSHR (0.61) | TSHRPBRM1ALDH1A1DPP4CES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5093500-A | Spirodilactam bisimides | SHELL OIL COMPANY (US) | 1992-03-03 | — | — | US | disclosed |
| US-4939270-A | Spirodilactam diamines | SHELL OIL COMPANY (US) | 1990-07-03 | — | — | US | disclosed |