Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 6/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 4/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | KDM6B | O15054 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22453719 | 0.92 | CYP1A2 (0.37) | CYP1A2KDM4CNR1H4KDM6BMEN1 | |
| SCHEMBL22453642 | 0.88 | KDM4C (0.40) | KDM4CKDM6BKMT2AKDM4EALDH1A1 | |
| SCHEMBL22453585 | 0.85 | CYP1A2 (0.38) | CYP1A2NR1H4MEN1KMT2AGRM5 | |
| SCHEMBL22453576 | 0.83 | CYP1A2 (0.40) | CYP1A2KDM4CNR1H4KDM6BMEN1 | |
| SCHEMBL22452775 | 0.81 | KDM4E (0.42) | KDM4CKDM6BKMT2AKDM4EALDH1A1 | |
| SCHEMBL22452936 | 0.76 | NR1H4 (0.35) | CYP1A2NR1H4MEN1KMT2ATSHR | |
| SCHEMBL22453723 | 0.75 | CYP1A2 (0.35) | CYP1A2NR1H4MEN1KMT2AGRM5 | |
| SCHEMBL22453294 | 0.73 | KDM4E (0.41) | KDM4CKDM6BMEN1KMT2AKDM4E | |
| SCHEMBL22453584 | 0.72 | HDAC3 (0.44) | — | |
| SCHEMBL22452558 | 0.72 | KDM4C (0.42) | KDM4CKDM6BMEN1KMT2AKDM4E |
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-2020190774-A1 | NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS | THE GENERAL HOSPITAL CORPORATION (US) | 2020-09-24 | — | — | WO | disclosed |