Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.64 |
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA7 | P43166 | 1/20 | 0.64 |
| ▸ | CA9 | Q16790 | 1/20 | 0.64 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.64 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.46 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.46 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.46 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28170407 | 0.86 | CA2 (0.76) | CA2CA12CA1CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL27777905 | 0.79 | CA12 (1.00) | CA2CA12CA1CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL481491 | 0.79 | CA12 (1.00) | CA2CA12CA1CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL29350371 | 0.79 | CA12 (1.00) | CA2CA12CA1CA7CA9 | |
| SCHEMBL126301 | 0.77 | CA2 (0.76) | CA2CA12CA1CA7CA9 | |
| SCHEMBL8946309 | 0.73 | CA2 (0.70) | CA2CA12CA1CA7CA9 | |
| SCHEMBL2096158 | 0.73 | CA2 (0.70) | CA2CA12CA1CA7CA9 | |
| SCHEMBL27887830 | 0.73 | CA2 (0.70) | CA2CA12CA1CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL27740813 | 0.73 | CA12 (0.86) | CA2CA12CA1CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL27582647 | 0.73 | CA2 (0.86) | CA2CA12CA1CA7CA9 |
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-4950674-A | Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment | A. H. ROBINS COMPANY, INCORPORATED (US) | 1990-08-21 | — | — | US | disclosed |