Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27796937 | 0.81 | PDE10A (0.42) | ALDH1A1HPGDHSD17B10ALOX15PDE10A | |
| SCHEMBL3680526 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HPGDHSD17B10ALOX15PDE10A | |
| SCHEMBL9237384 | 0.77 | PDE10A (0.50) | ALDH1A1HPGDHSD17B10ALOX15PDE10A | |
| SCHEMBL9362794 | 0.74 | NPC1 (0.46) | ALDH1A1HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9704361 | 0.73 | ALDH1A1 (0.43) | ALDH1A1HPGDHSD17B10ALOX15PDE10A | |
| SCHEMBL9181692 | 0.72 | CYP3A4 (0.44) | ALDH1A1HPGDHSD17B10 | |
| SCHEMBL30384637 | 0.71 | — | — | |
| SCHEMBL708434 | 0.71 | — | — | |
| SCHEMBL5658262 | 0.70 | ALDH1A1 (0.49) | ALDH1A1HPGDHSD17B10RAB9AMAPT | |
| SCHEMBL95119 | 0.69 | ALDH1A1 (0.47) | ALDH1A1HPGDHSD17B10ALOX15PDE10A |
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-2020182929-A1 | SUBSTITUTED UREAS AND DERIVATIVES AS NEW ANTIFUNGAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-09-17 | — | — | WO | claimed |
| WO-2012103520-A1 | METHODS AND COMPOSITIONS FOR MODULATING CYCLOPHILIN D | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2012-08-02 | — | — | WO | claimed |
| WO-2020182929-A1 | SUBSTITUTED UREAS AND DERIVATIVES AS NEW ANTIFUNGAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-09-17 | — | — | WO | disclosed |
| WO-2012103520-A1 | METHODS AND COMPOSITIONS FOR MODULATING CYCLOPHILIN D | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2012-08-02 | — | — | WO | disclosed |
| US-5318989-A | Antitumor and -carcinogenic agents; antibiotics; aglycones of esperamycins and calichemicins and having the same mechanism of bioactivity | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-06-07 | — | — | US | disclosed |
| CN-1071912-A | Dicyclo [7,3,1] 13 carbon-4-alkene-2,6-dialkyne and method for making thereof | BRISTOL MYERS SQUIBB CO (US) | 1993-05-12 | — | — | CN | disclosed |
| EP-0538898-A2 | Cytotoxic bicyclo (7.3.1)-tridec-4-ene-2,6-diyne compounds and process for the preparation thereof | Bristol-Myers Squibb Company (US) | 1993-04-28 | — | — | EP | disclosed |
| US-5198560-A | Antitumor agents based on esperamicin antibiotics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-03-30 | — | — | US | disclosed |