Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 10/20 | 0.97 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.76 |
| ▸ | ATM | Q13315 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL12987283 | 0.99 | KMT2A (1.00) | KMT2ACYP3A4ATMALDH1A1LMNA | |
| SCHEMBL21243070 | 0.84 | KMT2A (0.84) | KMT2ACYP3A4ATMALDH1A1LMNA | |
| SCHEMBL2159024 | 0.81 | KMT2A (0.72) | KMT2AALDH1A1MAPTKDM4ETSHR | |
| Hydrochloric Acid SCHEMBL11633757 | 0.81 | KMT2A (0.69) | KMT2ACYP3A4ALDH1A1MAPTCYP1A2 | |
| SCHEMBL21963567 | 0.80 | KMT2A (0.78) | KMT2ACYP3A4ATMALDH1A1LMNA | |
| SCHEMBL5240749 | 0.80 | KMT2A (1.00) | KMT2ACYP3A4ATMALDH1A1LMNA | |
| SCHEMBL31006272 | 0.80 | KMT2A (1.00) | KMT2ACYP3A4ATMALDH1A1LMNA | |
| SCHEMBL23488236 | 0.79 | KMT2A (0.70) | KMT2ACYP3A4ATMALDH1A1LMNA | |
| SCHEMBL6325974 | 0.79 | ALDH1A1 (0.68) | KMT2ACYP3A4ALDH1A1THRBMAPT | |
| SCHEMBL502583 | 0.78 | ALDH1A1 (0.78) | KMT2ACYP3A4ATMALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107759800-B | Nicotinic acid p-acetaminophenyl ester copper coordination polymer and preparation method thereof | 金华职业技术学院 | 2020-09-29 | — | — | CN | claimed |
| CN-107759800-B | Nicotinic acid p-acetaminophenyl ester copper coordination polymer and preparation method thereof | 金华职业技术学院 | 2020-09-29 | — | — | CN | disclosed |