Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.30 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Thiourea SCHEMBL9443171 | 0.89 | TSHR (0.40) | CA1CA2TSHRATMATR | |
| Pentane SCHEMBL28623831 | 0.80 | TSHR (0.50) | TSHRLMNAOPRM1ALDH1A1TDP1 | |
| SCHEMBL5692654 | 0.78 | CA2 (0.43) | CA1CA2TSHROPRM1SPHK1 | |
| SCHEMBL2921590 | 0.78 | CA2 (0.43) | CA1CA2TSHROPRM1SPHK1 | |
| Pentane SCHEMBL10425869 | 0.77 | OPRM1 (0.39) | CA1CA2TSHRLMNAOPRM1 | |
| SCHEMBL6995969 | 0.77 | CA2 (0.42) | CA1CA2TSHROPRM1SPHK1 | |
| SCHEMBL8387726 | 0.77 | CA2 (0.42) | CA1CA2TSHROPRM1SPHK1 | |
| Hexane SCHEMBL9392301 | 0.76 | TSHR (0.50) | TSHRLMNAOPRM1TRPM8 | |
| Hexane SCHEMBL9443327 | 0.76 | TSHR (0.50) | CA1CA2TSHRLMNASPHK1 | |
| Zinc Ion SCHEMBL4387197 | 0.75 | CA2 (0.41) | CA1CA2OPRM1SPHK1TP53 |
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-4952513-A | NOT FOR KETONES AND ALDEHYDES; FORMING REACTION PRODUCT IN SITU WITH DERIVATIZING AGENT | CRYSTAL DIAGNOSTICS, INC. (US) | 1990-08-28 | — | — | US | disclosed |