Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.51 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12534115 | 0.83 | HSP90AA1 (0.58) | ALDH1A1HTTMAPTSMN1; SMN2NPC1 | |
| SCHEMBL3458382 | 0.82 | ALDH1A1 (0.53) | ALDH1A1HTTMAPTSMN1; SMN2NPC1 | |
| SCHEMBL2537515 | 0.82 | ALDH1A1 (0.71) | ALDH1A1HTTMAPTSMN1; SMN2NPC1 | |
| SCHEMBL12322230 | 0.80 | ALDH1A1 (0.55) | ALDH1A1HTTMAPTSMN1; SMN2NPC1 | |
| SCHEMBL11854125 | 0.80 | ALDH1A1 (0.51) | ALDH1A1HTTMAPTSMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL11854130 | 0.80 | ALDH1A1 (0.51) | ALDH1A1HTTMAPTSMN1; SMN2NPC1 | |
| SCHEMBL7615944 | 0.80 | CA1 (0.53) | ALDH1A1HTTMAPTSMN1; SMN2NPC1 | |
| SCHEMBL28078086 | 0.79 | MAPT (0.53) | ALDH1A1HTTMAPTSMN1; SMN2NPC1 | |
| SCHEMBL7826854 | 0.79 | PPIB (0.49) | ALDH1A1HTTMAPTSMN1; SMN2NPC1 | |
| SCHEMBL6806574 | 0.78 | HSD17B1 (0.65) | ALDH1A1HTTMAPTSMN1; SMN2NPC1 |
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-0686636-B1 | TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES | MEIJI SEIKA CO (JP) | 2001-04-04 | — | — | EP | disclosed |
| US-5840895-A | INTERMEDIATES FOR ANTIALLERGENS | MEIJI SEIKA KABUSHIKI KAISHA (JP) | 1998-11-24 | — | — | US | disclosed |
| US-5686442-A | ANTIALLERGENS | MEIJI SEIKA KABUSHIKI KAISHA (JP) | 1997-11-11 | — | — | US | disclosed |
| EP-0686636-A1 | TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES | MEIJI SEIKA KABUSHIKI KAISHA (JP) | 1995-12-13 | — | — | EP | disclosed |