Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1127502 | 0.75 | ATM (0.48) | ATMALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL27936100 | 0.70 | ALDH1A1 (0.40) | ATMALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL27936097 | 0.70 | PTGS2 (0.62) | ATMALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL8140854 | 0.70 | ATM (0.48) | ATMALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL12971416 | 0.70 | ATM (0.48) | ATMALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL27939854 | 0.70 | ATM (0.48) | ATMALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3658913 | 0.70 | ATM (0.48) | ATMALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL8130354 | 0.70 | ATM (0.48) | ATMALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL11162666 | 0.70 | RAB9A (0.46) | ATMALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL28250720 | 0.70 | ATM (0.48) | ATMALDH1A1MAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106397404-A | Method for preparing 5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carboxaldehyde | 山东新华制药股份有限公司 | 2017-02-15 | — | — | CN | disclosed |