Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.42 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.42 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18738914 | 0.83 | THRB (0.47) | NAAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18179835 | 0.82 | CYP1A2 (0.55) | NAAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7740128 | 0.80 | NAAA (0.49) | NAAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7740129 | 0.80 | NAAA (0.49) | NAAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12895188 | 0.79 | NAAA (0.42) | NAAAGNAI3GNAO1GNAI1KMT2A | |
| SCHEMBL24098150 | 0.78 | NAAA (0.68) | NAAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7739482 | 0.78 | NAAA (0.48) | NAAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7739487 | 0.78 | NAAA (0.48) | NAAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21078257 | 0.77 | NAAA (0.61) | NAAAALDH1A1KMT2ATHRBMEN1 | |
| SCHEMBL103494 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3432934-B1 | PRODRUGS OF CYTOTOXIC AGENTS WITH ENZYMATICALLY CLEAVABLE GROUPS | Bayer Pharma AG (DE) | 2022-02-23 | — | — | EP | disclosed |
| EP-3086814-B1 | DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) | Bayer Pharma AG (DE) | 2020-06-24 | — | — | EP | disclosed |