Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.57 |
| ▸ | CA2 | P00918 | 3/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | HTR3A | P46098 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 4/20 | 0.51 |
| ▸ | AR | P10275 | 2/20 | 0.51 |
| ▸ | DHFR | P00374 | 1/20 | 0.51 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.50 |
| ▸ | TUBB | P07437 | 1/20 | 0.50 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.50 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.50 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.50 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4644640 | 0.97 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL31345525 | 0.97 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9505741 | 0.95 | CA1 (0.57) | CA1CA2CA7CA9CA12 | |
| Hydrogen Peroxide SCHEMBL28640288 | 0.93 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1341389 | 0.85 | ALDH1A1 (0.59) | CA1CA2CA7CA9CA12 | |
| SCHEMBL3289071 | 0.84 | AR (0.56) | CA1CA2CA7CA9CA12 | |
| SCHEMBL943297 | 0.82 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28254428 | 0.82 | KMT2A (0.51) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9018821 | 0.82 | IFNAR1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27612959 | 0.80 | KMT2A (0.59) | CA1CA2CA7CA9CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0343734-B1 | CATALYST COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-08-11 | — | — | EP | disclosed |
| US-4948870-A | Polymerization process | SHELL OIL COMPANY (US) | 1990-08-14 | — | — | US | disclosed |
| EP-0343734-A1 | Catalyst compositions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-11-29 | — | — | EP | disclosed |