Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL28856855 | 0.97 | CYP2A6 (0.47) | CYP2A6ALOX12MCOLN3TSHRCA1 | |
| Naphthalene SCHEMBL28255758 | 0.91 | CYP2A6 (0.53) | CYP2A6ALOX12TSHRCA1CA2 | |
| Naphthalene SCHEMBL28150689 | 0.91 | CYP2A6 (0.53) | CYP2A6ALOX12TSHRCA1CA2 | |
| Naphthalene SCHEMBL28262886 | 0.91 | CYP2A6 (0.53) | CYP2A6ALOX12TSHRCA1CA2 | |
| Naphthalene SCHEMBL28345517 | 0.91 | CYP2A6 (0.53) | CYP2A6ALOX12TSHRCA1CA2 | |
| Naphthalene SCHEMBL28255753 | 0.91 | CYP2A6 (0.53) | CYP2A6ALOX12TSHRCA1CA2 | |
| Naphthalene SCHEMBL28070264 | 0.91 | CYP2A6 (0.53) | CYP2A6ALOX12TSHRCA1CA2 | |
| Naphthalene SCHEMBL28214843 | 0.88 | CYP2A6 (0.50) | CYP2A6ALOX12TSHRCA1CA2 | |
| Naphthalene SCHEMBL38585 | 0.88 | CYP2A6 (0.57) | CYP2A6ALOX12TSHRCA1CA2 | |
| Naphthalene SCHEMBL28943716 | 0.88 | CYP2A6 (0.57) | CYP2A6ALOX12TSHRCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0502591-A2 | Protein non-adsorptive polyurea-urethane polymer coated devices | W.R. Grace & Co.-Conn. (US) | 1992-09-09 | — | — | EP | disclosed |
| EP-0333899-A2 | Biocompatible polyurea-urethane hydrated polymers | HAMPSHIRE CHEMICAL CORPORATION (US) | 1989-09-27 | — | — | EP | disclosed |