Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ACHE | P22303 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11205909 | 0.91 | MAPK1 (0.77) | MAPK1TSHRACHEALDH1A1ALOX15 | |
| SCHEMBL21845090 | 0.83 | TSHR (0.57) | MAPK1TSHRACHETDP1NPC1 | |
| Toluene SCHEMBL28596113 | 0.82 | MAPK1 (0.81) | MAPK1TSHRACHEMAPTALDH1A1 | |
| SCHEMBL9508337 | 0.81 | TSHR (0.55) | MAPK1TSHRACHETDP1NPC1 | |
| SCHEMBL75713 | 0.80 | MAPK1 (0.62) | MAPK1TSHRTDP1NPC1MAPT | |
| SCHEMBL11415117 | 0.80 | MAPK1 (0.62) | MAPK1TSHRACHETDP1NPC1 | |
| SCHEMBL3482427 | 0.79 | TSHR (0.52) | MAPK1TSHRACHETDP1NPC1 | |
| SCHEMBL5545791 | 0.79 | ALDH1A1 (0.62) | MAPK1TSHRACHETDP1NPC1 | |
| SCHEMBL23474359 | 0.77 | TSHR (0.50) | MAPK1TSHRACHETDP1NPC1 | |
| SCHEMBL19928041 | 0.77 | TSHR (0.50) | MAPK1TSHRACHETDP1NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4384068-A | Pasty organopolysiloxane compositions thermosetting into elastomers | RHONE-POULENC INDUSTRIES (FR) | 1983-05-17 | — | — | US | disclosed |
| US-4204075-A | PURIFICATION | PENNWALT CORPORATION (US) | 1980-05-20 | — | — | US | disclosed |
| US-4133835-A | REACTING AN OLEFIN, A HALIDE, AND A HYDROPEROXIDE | PENNWALT CORPORATION (US) | 1979-01-09 | — | — | US | disclosed |
| US-4093583-A | WITH AN ALPHA-OLEFIN AND A NONCONJUGATED DIENE, CURING AGENT, ACTIVATOR | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1978-06-06 | — | — | US | disclosed |