Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19941727 | 1.00 | TP53 (0.62) | TP53THRBALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL6862095 | 1.00 | TP53 (0.62) | TP53THRBALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL4491334 | 0.98 | THRB (0.61) | TP53THRBALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL27908674 | 0.93 | THRB (0.61) | TP53THRBALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL9488672 | 0.90 | TP53 (0.57) | TP53THRBALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL4970293 | 0.90 | TP53 (0.57) | TP53THRBALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL27926754 | 0.88 | THRB (0.55) | TP53THRBALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL6651323 | 0.86 | TP53 (0.54) | TP53THRBALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL6650169 | 0.86 | TP53 (0.54) | TP53THRBALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL1605366 | 0.83 | TP53 (0.50) | TP53THRBALDH1A1NPSR1SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018039972-A1 | INHIBITORS OF CELLULAR METABOLIC PROCESSES | AGIOS PHARMACEUTICALS, INC. (US) | 2018-03-08 | — | — | WO | disclosed |