Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17899694 | 0.88 | PKM (0.48) | ALDH1A1EPHX2TSHRPKMSMN1; SMN2 | |
| SCHEMBL17899689 | 0.86 | HDAC1 (0.41) | ALDH1A1LMNAPKMHDAC1MAPT | |
| SCHEMBL17899697 | 0.86 | LMNA (0.43) | ALDH1A1EPHX2LMNAPKMMAPT | |
| SCHEMBL17899692 | 0.85 | PKM (0.46) | ALDH1A1EPHX2LMNAPKMSMN1; SMN2 | |
| SCHEMBL17899644 | 0.84 | MAPT (0.48) | ALDH1A1EPHX2TSHRLMNAPKM | |
| SCHEMBL17899686 | 0.84 | EPHX2 (0.44) | ALDH1A1EPHX2HDAC1KMT2A | |
| SCHEMBL17899650 | 0.84 | KMT2A (0.46) | ALDH1A1EPHX2LMNAMAPTKMT2A | |
| SCHEMBL17899642 | 0.84 | MAPT (0.39) | ALDH1A1EPHX2LMNAPKMMAPT | |
| SCHEMBL17899649 | 0.84 | KMT2A (0.41) | EPHX2PKMMAPTSMN1; SMN2KMT2A | |
| SCHEMBL17897332 | 0.84 | EPHX2 (0.41) | ALDH1A1EPHX2SMN1; SMN2KMT2A |
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-2016107544-A1 | INTERMEDIATE COMPOUND FOR PREPARING PYRROLE AMIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF | 成都先导药物开发有限公司 | 2016-07-07 | — | — | WO | disclosed |