Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.79 |
| ▸ | CA2 | P00918 | 3/20 | 0.79 |
| ▸ | CA9 | Q16790 | 3/20 | 0.79 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.79 |
| ▸ | CA1 | P00915 | 2/20 | 0.79 |
| ▸ | CA3 | P07451 | 2/20 | 0.79 |
| ▸ | CA4 | P22748 | 2/20 | 0.79 |
| ▸ | GLA | P06280 | 1/20 | 0.79 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.79 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | MMP3 | P08254 | 1/20 | 0.53 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 7/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.52 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
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 SCHEMBL9480479 | 1.00 | CA12 (0.79) | CA12CA2CA9CA14CA1 | |
| Naphthalene SCHEMBL2430771 | 1.00 | CA12 (0.79) | CA12CA2CA9CA14CA1 | |
| Biphenyl SCHEMBL28693245 | 0.91 | MMP3 (0.68) | CA12CA2CA9CA14CA1 | |
| Naphthalene SCHEMBL28427693 | 0.91 | CA12 (0.65) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL11067860 | 0.89 | CA12 (1.00) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL524026 | 0.89 | CA12 (1.00) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL7750141 | 0.89 | CA12 (1.00) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL8825085 | 0.89 | CA12 (1.00) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL14134295 | 0.89 | — | — | |
| Phenol SCHEMBL48 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104395371-B | Composition epoxy resin and its solidfied material and hardening resin composition | 日本化药株式会社 | 2017-03-15 | — | — | CN | disclosed |
| US-5908600-A | SEMICONDUCTOR SENSOR | APL GROUP INTERNATIONAL, LLC (US) | 1999-06-01 | — | — | US | disclosed |