Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.57 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.56 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15477732 | 0.98 | HTT (0.58) | HTTMCL1DDB1CRBNALDH1A1 | |
| SCHEMBL11903535 | 0.88 | DDB1 (0.65) | HTTDDB1CRBNALDH1A1RAB9A | |
| SCHEMBL12270646 | 0.86 | KMT2A (0.60) | HTTDDB1CRBNALDH1A1RAB9A | |
| SCHEMBL12270786 | 0.84 | HTT (0.52) | HTTDDB1CRBNALDH1A1RAB9A | |
| SCHEMBL1514875 | 0.82 | DHODH (0.46) | RAB9ANPC1 | |
| SCHEMBL12270569 | 0.79 | RAB9A (0.58) | HTTALDH1A1RAB9ANPC1KDM4E | |
| SCHEMBL12270626 | 0.79 | RAB9A (0.62) | HTTALDH1A1RAB9ANPC1KDM4E | |
| SCHEMBL12270417 | 0.79 | EPHX1 (0.49) | HTTALDH1A1RAB9ANPC1KMT2A | |
| SCHEMBL12270574 | 0.79 | HTT (0.48) | HTTDDB1CRBNALDH1A1RAB9A | |
| SCHEMBL11081803 | 0.78 | EPHX2 (0.60) | ALDH1A1RAB9ANPC1KMT2AMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5739158-A | Nitrogen-containing cyclohetero cycloalkylaminoaryl derivatives for CNS disorders | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-04-14 | — | — | US | disclosed |
| EP-0594597-A1 | NITROGEN-CONTAINING CYCLOHETERO CYCLOALKYLAMINOARYL DERIVATIVES FOR CNS DISORDERS | G.D. Searle & Co. (US) | 1994-05-04 | — | — | EP | disclosed |
| EP-0594597-A4 | NITROGEN-CONTAINING CYCLOHETERO CYCLOALKYLAMINOARYL DERIVATIVES FOR CNS DISORDERS. | SEARLE & CO (US) | 1993-04-30 | — | — | EP | disclosed |
| US-5130330-A | Central nervous system disorders, antiischemic agents, psychotic disorders and anticonvulsants | G. D. SEARLE & CO. (US) | 1992-07-14 | — | — | US | disclosed |
| WO-1991012247-A1 | NITROGEN-CONTAINING CYCLOHETERO CYCLOALKYLAMINOARYL DERIVATIVES FOR CNS DISORDERS | G.D. SEARLE & CO. (US) | 1991-08-22 | — | — | WO | disclosed |