Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL8138478 | 0.87 | TSHR (0.70) | TSHRALDH1A1LMNAL3MBTL1KDM4E | |
| Benzonitrile SCHEMBL27388743 | 0.87 | TSHR (0.70) | TSHRALDH1A1LMNAL3MBTL1KDM4E | |
| Benzonitrile SCHEMBL27601363 | 0.87 | TSHR (0.70) | TSHRALDH1A1LMNAL3MBTL1KDM4E | |
| Benzonitrile SCHEMBL27594982 | 0.87 | TSHR (0.70) | TSHRALDH1A1LMNAL3MBTL1KDM4E | |
| Benzonitrile SCHEMBL27282130 | 0.87 | TSHR (0.70) | TSHRALDH1A1LMNAL3MBTL1KDM4E | |
| Benzonitrile SCHEMBL27666755 | 0.85 | TSHR (0.67) | TSHRALDH1A1LMNAL3MBTL1KDM4E | |
| Benzonitrile SCHEMBL27833450 | 0.85 | TSHR (0.67) | TSHRALDH1A1LMNAL3MBTL1KDM4E | |
| Benzonitrile SCHEMBL20975411 | 0.83 | TSHR (0.64) | TSHRALDH1A1LMNAL3MBTL1KDM4E | |
| Benzonitrile SCHEMBL27747892 | 0.83 | TSHR (0.64) | TSHRALDH1A1LMNAL3MBTL1KDM4E | |
| Benzonitrile SCHEMBL28026086 | 0.83 | TSHR (0.64) | TSHRALDH1A1LMNAL3MBTL1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0885186-B1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | THOMAE GMBH DR K (DE) | 2003-03-26 | — | — | EP | disclosed |
| US-6114390-A | AN ARGININAMIDE OR ORNITHINAMIDE COMPOUND AS TREATING MEMORY LOSS, MIGRAINE, SLEEP DISORDERS, PAIN, CARDIOVASCULAR DISEASES, SUBARACHNOIDAL BLEEDING, VASCULAR-HYPERTROPHIC CHANGES, CEREBRAL AND CORONARY VASOSPASMS | KARL THOMAE GMBH (DE) | 2000-09-05 | — | — | US | disclosed |
| EP-0885186-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997019911-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |