Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.38 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17836993 | 0.89 | HSD11B1 (0.46) | WDR5LDHACYP1A1CYP1B1RAB9A | |
| SCHEMBL254145 | 0.86 | HDAC3 (0.48) | WDR5CYP1A1CYP1B1RAB9AHPGD | |
| SCHEMBL17841056 | 0.83 | CDC25B (0.49) | CDC25BRAB9AHPGDALDH1A1KDM4E | |
| SCHEMBL7197168 | 0.82 | ERN1 (0.44) | HPGDALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL7599032 | 0.81 | DNMT1 (0.39) | RAB9AHPGDALDH1A1KDM4EMEN1 | |
| SCHEMBL19949358 | 0.80 | SLC2A1 (0.36) | HPGDALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL7709361 | 0.80 | MAPT (0.37) | RAB9AHPGDALDH1A1KDM4EMEN1 | |
| SCHEMBL29428610 | 0.80 | SLC2A1 (0.36) | HPGDALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL485270 | 0.79 | CXCR2 (0.46) | CYP1A1CYP1B1RAB9AHPGDALDH1A1 | |
| SCHEMBL14059189 | 0.79 | ALOX15 (0.44) | NR4A1NR4A2NR4A3HPGDALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018005249-A1 | BENZOISOQUINOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2018-01-04 | — | — | WO | disclosed |
| WO-2017160670-A1 | M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. (US) | 2017-09-21 | — | — | WO | disclosed |
| WO-1997048672-A2 | SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY | ALLERGAN SALES, INC. (US) | 1997-12-24 | — | — | WO | disclosed |