Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | DBH | P09172 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9734073 | 0.93 | ALDH1A1 (0.61) | ALDH1A1LMNAHTTCYP1A2CYP3A4 | |
| SCHEMBL9734058 | 0.89 | ALDH1A1 (0.56) | ALDH1A1LMNAHTTCYP1A2CYP3A4 | |
| SCHEMBL9733496 | 0.88 | KDM4E (0.47) | ALDH1A1LMNAHTTCYP2C9CYP2D6 | |
| SCHEMBL3210905 | 0.83 | ALDH1A1 (0.69) | ALDH1A1LMNAHTTCYP1A2CYP3A4 | |
| SCHEMBL7064678 | 0.82 | ALDH1A1 (0.68) | ALDH1A1LMNAHTTCYP3A4HSD17B10 | |
| SCHEMBL9733716 | 0.77 | KDM4E (0.47) | ALDH1A1LMNAHTTHSD17B10KDM4E | |
| SCHEMBL6568587 | 0.76 | POLB (0.62) | ALDH1A1LMNAHTTCYP2C9CYP2D6 | |
| SCHEMBL9733734 | 0.74 | ALDH1A1 (0.64) | ALDH1A1LMNAHTTHSD17B10CYP2C9 | |
| SCHEMBL9733848 | 0.73 | HPGD (0.48) | ALDH1A1LMNAHTTCYP1A2CYP3A4 | |
| SCHEMBL30574272 | 0.73 | ALDH1A1 (0.55) | ALDH1A1LMNAHTTCYP3A4HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5106975-A | Hexahydropyrimidine derivatives | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0434185-A2 | Hexahydropyrimidine derivatives | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1991-06-26 | — | — | EP | disclosed |