Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | CTSC | P53634 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22452932 | 0.84 | KDM1A (0.40) | KDM1AGAAHTR2CHTTMAPT | |
| SCHEMBL22453059 | 0.79 | AKR1C3 (0.57) | KDM1AACLYCNR2DHODHALDH1A1 | |
| SCHEMBL22453372 | 0.78 | GAA (0.49) | DHODHALDH1A1GAAALOX15HTT | |
| SCHEMBL22452643 | 0.77 | CNR2 (0.46) | KDM1ACNR2ALDH1A1MAPTCYP2D6 | |
| SCHEMBL22452817 | 0.77 | KDM1A (0.42) | KDM1ACTSCDGAT1ACLYDHODH | |
| SCHEMBL22453371 | 0.74 | ALDH1A1 (0.40) | DHODHALDH1A1GAAALOX15HTT | |
| SCHEMBL22452859 | 0.74 | ALDH1A1 (0.41) | CNR1CNR2ALDH1A1GAAALOX15 | |
| SCHEMBL22453849 | 0.71 | MEN1 (0.35) | CNR1CNR2ALDH1A1GAAALOX15 | |
| SCHEMBL16904557 | 0.68 | CTSC (0.43) | CTSCCNR1CNR2GAAHTT | |
| SCHEMBL3681390 | 0.68 | HTR2C (0.66) | KDM1AHTR2CHTTMEN1KMT2A |
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 |