Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | RARB | P10826 | 6/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31688904 | 0.96 | CA1 (0.49) | CA1CA2ALDH1A1RARBADRB1 | |
| SCHEMBL7716598 | 0.90 | S1PR1 (0.48) | CA1CA2ALDH1A1RARBADRB1 | |
| SCHEMBL31688891 | 0.86 | RARB (0.51) | ALDH1A1RARBKMT2AMEN1RARA | |
| SCHEMBL7723455 | 0.84 | ALDH1A1 (0.59) | CA1CA2ALDH1A1KMT2AMEN1 | |
| SCHEMBL28066274 | 0.84 | SIGMAR1 (0.57) | CA1CA2ALDH1A1LMNAHTT | |
| SCHEMBL7721622 | 0.83 | ALDH1A1 (0.57) | CA1CA2ALDH1A1KMT2AMEN1 | |
| SCHEMBL31688715 | 0.80 | ALDH1A1 (0.52) | CA1CA2ALDH1A1ADRB1ADRB3 | |
| SCHEMBL288827 | 0.80 | KDM4E (0.55) | CA1CA2 | |
| SCHEMBL157742 | 0.80 | KEAP1 (0.59) | CA2ALDH1A1MAPT | |
| SCHEMBL4233315 | 0.79 | ALDH1A1 (0.57) | ALDH1A1RARBADRB1ADRB3LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6417396-B1 | BY-PRODUCT INHIBITION; REACTING ORGANIC ALKALI OR ALKALINE EARTH METAL CARBOXYLATE, PHOSPHONATE, OR SULFONATE; ACYLATION, PHOSPHORYLATION, SULFONATION, AMIDATION, ALKYLATION, CYCLIZATION, OR CONDENSATION | Lambert, Warner | 2002-07-09 | — | — | US | disclosed |
| US-6395930-B1 | AMINE SULFIDE PHOSPHATE OR SULFATE REAGENTS | WARNER LAMBERT | 2002-05-28 | — | — | US | disclosed |
| US-6121488-A | Quenching reagents for solution phase synthesis | WARNER-LAMBERT COMPANY (US) | 2000-09-19 | — | — | US | disclosed |