Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20159373 | 0.90 | ALDH1A1 (0.50) | ALDH1A1MAPTKMT2AHPGDNPSR1 | |
| SCHEMBL1373141 | 0.85 | ESR1 (0.56) | ALDH1A1MAPTNPSR1POLBNPC1 | |
| SCHEMBL10596544 | 0.84 | TSHR (0.56) | ALDH1A1MAPTKMT2AHPGDNPSR1 | |
| SCHEMBL12121920 | 0.83 | POLB (0.66) | ALDH1A1MAPTKMT2AHPGDNPSR1 | |
| SCHEMBL1748024 | 0.83 | GSK3B (0.48) | ALDH1A1MAPTKMT2AHPGDNPSR1 | |
| SCHEMBL1747922 | 0.82 | ALDH1A1 (0.51) | ALDH1A1MAPTKMT2AHPGDNPSR1 | |
| SCHEMBL4232023 | 0.80 | LMNA (0.53) | ALDH1A1MAPTKMT2AHPGDNPSR1 | |
| SCHEMBL12912525 | 0.80 | ALDH1A1 (0.52) | ALDH1A1MAPTKMT2AHPGDNPSR1 | |
| SCHEMBL21294046 | 0.79 | ALDH1A1 (0.44) | ALDH1A1MAPTKMT2ANPSR1POLB | |
| SCHEMBL7799487 | 0.79 | ALDH1A1 (0.49) | ALDH1A1MAPTKMT2AHPGDNPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021013693-A1 | ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2021-01-28 | — | — | WO | disclosed |
| WO-2018086703-A1 | DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | disclosed |
| WO-2018086703-A1 | DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | disclosed |