Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.34 |
| ▸ | ITGAL | P20701 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6682114 | 0.80 | SSTR4 (0.35) | KDM4ESSTR4TRPV1GAASMN1; SMN2 | |
| SCHEMBL14047183 | 0.78 | KDM4E (0.42) | KDM4ESSTR4HRH2TRPV1OPRL1 | |
| SCHEMBL97554 | 0.77 | ITGB2 (0.41) | SSTR4TRPV1ITGB2ICAM1ITGAL | |
| SCHEMBL27936039 | 0.73 | ITGB2 (0.38) | SSTR4TRPV1OPRL1ITGB2ICAM1 | |
| SCHEMBL5847643 | 0.72 | SSTR4 (0.41) | SSTR4TRPV1ITGB2ICAM1ITGAL | |
| SCHEMBL30207743 | 0.72 | SSTR4 (0.41) | SSTR4TRPV1ITGB2ICAM1ITGAL | |
| SCHEMBL29948201 | 0.72 | SSTR4 (0.41) | SSTR4TRPV1ITGB2ICAM1ITGAL | |
| SCHEMBL769058 | 0.72 | SSTR4 (0.41) | SSTR4TRPV1ITGB2ICAM1ITGAL | |
| SCHEMBL5847641 | 0.72 | SSTR4 (0.41) | SSTR4TRPV1ITGB2ICAM1ITGAL | |
| Maleic Acid SCHEMBL10613791 | 0.72 | DRD3 (0.44) | KDM4ESSTR4HRH2TRPV1OPRL1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020147848-A1 | TRICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 上海海雁医药科技有限公司 | 2020-07-23 | — | — | WO | disclosed |
| EP-1027043-B1 | BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2004-11-10 | — | — | EP | disclosed |
| EP-1027043-A4 | BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2002-02-20 | — | — | EP | disclosed |
| EP-1027043-A1 | BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS | Bristol-Myers Squibb Company (US) | 2000-08-16 | — | — | EP | disclosed |
| US-6060506-A | FOR TREATMENT OF SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-05-09 | — | — | US | disclosed |
| US-5981571-A | USEFUL AS MELATONERGIC AGENTS IN THE TREATMENT OF SLEEP DISORDERS, SEASONAL DEPRESSION, SHIFTS IN CIRCADIAN CYCLES, MELANCHOLIA, STRESS, APPETITE REGULATION, BENIGN PROSTATIC HYPERPLASIA AND RELATED CONDITIONS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-11-09 | — | — | US | disclosed |
| US-5856529-A | ADJUSTMENT OF NERVOUS SYSTEM, ENDOCRINE FUNCTION; REPRODUCTION, BODY WEIGHT AND METABOLISM | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-01-05 | — | — | US | disclosed |
| WO-1998025606-A1 | BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-06-18 | — | — | WO | disclosed |