Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | THRA | P10827 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13256427 | 0.89 | ALDH1A1 (0.61) | ALDH1A1LMNAMEN1THRATHRB | |
| SCHEMBL18893376 | 0.85 | ALDH1A1 (0.57) | ALDH1A1LMNAMEN1THRATHRB | |
| SCHEMBL11935623 | 0.84 | HTT (0.51) | ALDH1A1LMNAMEN1THRATHRB | |
| SCHEMBL8166642 | 0.82 | HTT (0.58) | ALDH1A1LMNAMEN1THRATHRB | |
| SCHEMBL8887849 | 0.80 | HTT (0.56) | ALDH1A1LMNAMEN1THRATHRB | |
| Hydrochloric Acid SCHEMBL9850654 | 0.79 | HTT (0.55) | ALDH1A1LMNAMEN1THRATHRB | |
| SCHEMBL13564923 | 0.78 | ALDH1A1 (0.45) | ALDH1A1LMNAMEN1THRATHRB | |
| SCHEMBL11941134 | 0.78 | GRIA1 (0.47) | ALDH1A1LMNAMEN1THRATHRB | |
| SCHEMBL12471303 | 0.78 | HTT (0.54) | ALDH1A1LMNAMEN1THRATHRB | |
| SCHEMBL30203895 | 0.78 | NPC1 (0.50) | ALDH1A1LMNAMEN1THRATHRB |
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-5047422-A | Treating A Disorder Of The Central Nervous System, Cardiovascular System Or Intestinal Tract | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-10 | — | — | US | disclosed |
| US-4968679-A | DISORDERS OF CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM OR INTESTINAL TRACT | BAYER AKTIENGESELLSCHAFT (DE) | 1990-11-06 | — | — | US | disclosed |
| US-4873262-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, CARDIIOVASCULAR SYSTEM OR INTESTINAL TRACT | BAYER AKTIENGESELLSCHAFT (DE) | 1989-10-10 | — | — | US | disclosed |
| EP-0272534-A2 | 8-substituted 2-aminotetralins | BAYER AG (DE) | 1988-06-29 | — | — | EP | disclosed |