Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 3/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CDC25A | P30304 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | PRNP | P04156 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL422 | 0.91 | ALDH1A1 (0.67) | ALDH1A1ALOX15AKR1C3TP53GAA | |
| SCHEMBL9712554 | 0.89 | CES2 (0.58) | ALDH1A1ALOX15GAACES2CES1 | |
| SCHEMBL28422933 | 0.88 | ALDH1A1 (0.64) | ALDH1A1ALOX15AKR1C3TP53GAA | |
| Hydrochloric Acid SCHEMBL28325289 | 0.88 | ALDH1A1 (0.64) | ALDH1A1ALOX15AKR1C3TP53GAA | |
| SCHEMBL9712558 | 0.87 | ALDH1A1 (0.76) | ALDH1A1ALOX15GAAMAPTSMN1; SMN2 | |
| SCHEMBL7144398 | 0.87 | CYP3A4 (0.50) | ALDH1A1ALOX15CYP3A4CYP2C9KMT2A | |
| SCHEMBL9712553 | 0.87 | PRNP (0.49) | ALDH1A1ALOX15AKR1C3SMN1; SMN2KMT2A | |
| SCHEMBL31672209 | 0.85 | AKR1C3 (0.68) | ALDH1A1ALOX15AKR1C3GAAMAPT | |
| SCHEMBL78316 | 0.85 | AKR1C3 (0.68) | ALDH1A1ALOX15AKR1C3GAAMAPT | |
| Cyclohexane SCHEMBL28429706 | 0.83 | ALDH1A1 (0.58) | ALDH1A1ALOX15MAPTTSHRSMN1; SMN2 |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0359341-B1 | 1,6-diazaspiro[4,4]nonane-2,7-dione derivatives | SHELL INT RESEARCH (NL) | 1994-02-16 | — | — | EP | disclosed |
| US-5164470-A | Polymer compositions | SHELL OIL COMPANY (US) | 1992-11-17 | — | — | US | disclosed |
| US-5149823-A | Sulfonamide substituted spirodilactams | SHELL OIL COMPANY (US) | 1992-09-22 | — | — | US | disclosed |
| US-5145910-A | Ketocarboxylated polymers | SHELL OIL COMPANY (US) | 1992-09-08 | — | — | US | disclosed |
| US-5112938-A | CYANO- AND CARBOXY-SUBSTITUTED SPIRODILACTAMS | SHELL OIL COMPANY (US) | 1992-05-12 | — | — | US | disclosed |
| US-5103001-A | SPIRODILACTAMS | SHELL OIL COMPANY (US) | 1992-04-07 | — | — | US | disclosed |
| US-5093495-A | Benzoheterocyclic compounds | SHELL OIL COMPANY (US) | 1992-03-03 | — | — | US | disclosed |
| US-5093465-A | Polyamide containing spirodilactam moieties | SHELL OIL COMPANY (US) | 1992-03-03 | — | — | US | disclosed |
| US-5093500-A | Spirodilactam bisimides | SHELL OIL COMPANY (US) | 1992-03-03 | — | — | US | disclosed |
| US-5093499-A | Spirodilactam derivatives | SHELL OIL COMPANY (US) | 1992-03-03 | — | — | US | disclosed |
| US-4940801-A | Spirodilactam derivatives | SHELL OIL COMPANY (US) | 1990-07-10 | — | — | US | disclosed |
| US-4939251-A | Novel spirolactones | SHELL OIL COMPANY (US) | 1990-07-03 | — | — | US | disclosed |
| US-4939270-A | Spirodilactam diamines | SHELL OIL COMPANY (US) | 1990-07-03 | — | — | US | disclosed |
| US-4927906-A | Novel polyamideimide polymers | SHELL OIL COMPANY (US) | 1990-05-22 | — | — | US | disclosed |
| US-4924014-A | Process for the preparation of halogen-containing aromatic compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-05-08 | — | — | US | disclosed |
| US-4914176-A | Poly(heterocyclic) polymers | SHELL OIL COMPANY (US) | 1990-04-03 | — | — | US | disclosed |
| EP-0359341-A2 | 1,6-diazaspiro[4,4]nonane-2,7-dione derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-03-21 | — | — | EP | disclosed |
| US-4885351-A | Spirodilactam derivatives | SHELL OIL COMPANY (US) | 1989-12-05 | — | — | US | disclosed |
| US-4785074-A | PROTECTIVE COATINGS, RELIEF IMAGES | CIBA-GEIGY CORPORATION (US) | 1988-11-15 | — | — | US | disclosed |
| US-4694061-A | POLYAMIDE(IMIDE)S CONTAINING BENZOPHENONE (DI-ORTRI)CARBOXYLIC ACID | CIBA-GEIGY CORPORATION (US) | 1987-09-15 | — | — | US | disclosed |