Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Pentane SCHEMBL5474878 | 0.97 | TSHR (0.50) | TSHRLMNASPHK2SPHK1ALDH1A1 | |
| Pentane SCHEMBL4557431 | 0.97 | TSHR (0.50) | TSHRLMNASPHK2SPHK1ALDH1A1 | |
| Hexane SCHEMBL8964700 | 0.90 | TSHR (0.47) | TSHRLMNASPHK2SPHK1ALDH1A1 | |
| Hexane SCHEMBL10419469 | 0.90 | TSHR (0.47) | TSHRLMNASPHK2SPHK1ALDH1A1 | |
| Tridecane SCHEMBL6291874 | 0.87 | TSHR (0.53) | TSHRLMNASPHK2SPHK1ALDH1A1 | |
| Dodecane SCHEMBL8374269 | 0.87 | TSHR (0.53) | TSHRLMNASPHK2SPHK1ALDH1A1 | |
| Tetradecane SCHEMBL7768520 | 0.87 | TSHR (0.53) | TSHRLMNASPHK2SPHK1ALDH1A1 | |
| Hexane SCHEMBL1286231 | 0.87 | TSHR (0.44) | TSHRLMNASPHK2SPHK1ALDH1A1 | |
| Heptane SCHEMBL8664516 | 0.87 | TSHR (0.53) | TSHRLMNASPHK2SPHK1ALDH1A1 | |
| Tetradecane SCHEMBL8432389 | 0.87 | TSHR (0.53) | TSHRLMNASPHK2SPHK1ALDH1A1 |
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-5840664-A | EXCHANGING BISMUTH CARBOXYLATE WITH METAL DITHIOCARBAMATE; WEAR RESISTANT LUBRICANT FOR NATURAL OR SYNTHETIC OILS | R. T. VANDERBILT COMPANY, INC. (US) | 1998-11-24 | — | — | US | disclosed |
| US-5631214-A | EXCHANGE REACTION BETWEEN BISMUTH CARBOXYLATE AND METAL DITHIOCARBAMATE | R.T. VANDERBILT COMPANY, INC. (US) | 1997-05-20 | — | — | US | disclosed |