Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | AHR | P35869 | 1/20 | 0.49 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1162423 | 0.88 | ALDH1A1 (0.52) | CALM1ALDH1A1CYP1A1CYP1B1CYP19A1 | |
| SCHEMBL28597517 | 0.86 | ALDH1A1 (0.50) | CALM1ALDH1A1CYP1A1CYP1B1CYP19A1 | |
| SCHEMBL6154776 | 0.84 | ALDH1A1 (0.39) | CALM1CHRM2CHRM1CHRM3ALDH1A1 | |
| SCHEMBL13074291 | 0.82 | ALDH1A1 (0.61) | ESR1AHRCALM1ALDH1A1ABL1 | |
| SCHEMBL13485083 | 0.82 | ALDH1A1 (0.61) | ESR1AHRCALM1ALDH1A1ABL1 | |
| SCHEMBL13189262 | 0.80 | CALM1 (0.50) | ESR1AHRCALM1ALDH1A1ABL1 | |
| SCHEMBL14051491 | 0.80 | CALM1 (0.42) | CALM1CHRM2CHRM1CHRM3ALDH1A1 | |
| SCHEMBL13444759 | 0.79 | ESR1 (0.59) | ESR1AHRALDH1A1ABL1ABCB1 | |
| SCHEMBL8264227 | 0.77 | CALM1 (0.47) | ESR1AHRCALM1ALDH1A1WDR5 | |
| SCHEMBL8263328 | 0.77 | CALM1 (0.47) | ESR1AHRCALM1ALDH1A1ABL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3551625-A1 | HETEROCYCLIC INHIBITORS OF MCT4 | Vettore, LLC (US) | 2019-10-16 | — | — | EP | disclosed |
| WO-2018111904-A1 | HETEROCYCLIC INHIBITORS OF MCT4 | Vettore, LLC (US) | 2018-06-21 | — | — | WO | disclosed |
| US-7625949-B2 | Methods for treating retroviral infections | ROCHE PALO ALTO LLC (US) | 2009-12-01 | — | — | US | disclosed |