Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.35 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 SCHEMBL28193182 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| Pyrene SCHEMBL8821795 | 0.83 | ALDH1A1 (0.58) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| Pyrene SCHEMBL28128984 | 0.83 | ALDH1A1 (0.58) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| Pyrene SCHEMBL16192570 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| Benzene SCHEMBL7331113 | 0.78 | OPRM1 (0.50) | TSHROPRM1LMNATP53 | |
| Benzene SCHEMBL9468915 | 0.78 | OPRM1 (0.50) | TSHROPRM1LMNATP53 | |
| Pyrene SCHEMBL27607693 | 0.77 | TSHR (0.52) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL11750197 | 0.76 | GRIN2D (0.49) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| O-Xylene SCHEMBL10701978 | 0.75 | TSHR (0.43) | ALDH1A1TSHRKMT2AOPRM1CNR2 | |
| Pyrene SCHEMBL17256139 | 0.75 | DNM1 (0.50) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5919710-A | Optical method for quantitating dissolved oxygen in fuel | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1999-07-06 | — | — | US | disclosed |