Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 5/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | CETP | P11597 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 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 | |
|---|---|---|---|---|
| Pyrene SCHEMBL8821795 | 0.95 | ALDH1A1 (0.58) | ALDH1A1CYP1A2HPGDHSD17B10CYP3A4 | |
| Pyrene SCHEMBL28128984 | 0.95 | ALDH1A1 (0.58) | ALDH1A1CYP1A2HPGDHSD17B10CYP3A4 | |
| Pyrene SCHEMBL28193182 | 0.93 | ALDH1A1 (0.61) | ALDH1A1CYP1A2HPGDHSD17B10CYP3A4 | |
| Decane SCHEMBL11776802 | 0.87 | HTT (0.57) | ALDH1A1CYP1A2TSHRHTTKCNH2 | |
| Dodecane SCHEMBL27909924 | 0.87 | HTT (0.57) | ALDH1A1CYP1A2TSHRHTTKCNH2 | |
| Tetradecane SCHEMBL9931457 | 0.87 | HTT (0.57) | ALDH1A1CYP1A2TSHRHTTKCNH2 | |
| Naphthalene SCHEMBL11775588 | 0.87 | HTT (0.57) | ALDH1A1CYP1A2TSHRHTTKCNH2 | |
| Naphthalene SCHEMBL11775581 | 0.87 | HTT (0.57) | ALDH1A1CYP1A2TSHRHTTKCNH2 | |
| Naphthalene SCHEMBL9764137 | 0.87 | HTT (0.57) | ALDH1A1CYP1A2TSHRHTTKCNH2 | |
| Pyrene SCHEMBL27830997 | 0.85 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HPGDHSD17B10CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2652495-B1 | DETERMINATION OF CORES OR BUILDING BLOCKS AND RECONSTRUCTION OF PARENT MOLECULES IN HEAVY PETROLEUMS AND OTHER HYDROCARBON RESOURCES | EXXONMOBIL RES & ENG CO (US) | 2014-10-29 | — | — | EP | disclosed |