Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31290294 | 1.00 | ESR1 (0.72) | ESR1ALDH1A1TSHRLMNATP53 | |
| SCHEMBL17367633 | 0.92 | ESR1 (0.83) | ESR1ALDH1A1TSHRLMNATP53 | |
| SCHEMBL523335 | 0.90 | ESR1 (0.86) | ESR1ALDH1A1TSHRLMNATP53 | |
| SCHEMBL8345769 | 0.89 | ESR1 (0.77) | ESR1ALDH1A1TSHRLMNATP53 | |
| SCHEMBL13291852 | 0.88 | ESR1 (0.63) | ESR1ALDH1A1TSHRLMNATP53 | |
| SCHEMBL8990736 | 0.88 | ESR1 (0.61) | ESR1ALDH1A1TSHRLMNATP53 | |
| SCHEMBL11000432 | 0.86 | TSHR (0.63) | ESR1ALDH1A1TSHRLMNATP53 | |
| SCHEMBL11005756 | 0.86 | TSHR (0.63) | ESR1ALDH1A1TSHRLMNATP53 | |
| SCHEMBL11001210 | 0.86 | TSHR (0.63) | ESR1ALDH1A1TSHRLMNATP53 | |
| SCHEMBL11005679 | 0.86 | TSHR (0.63) | ESR1ALDH1A1TSHRLMNATP53 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2237961-A | — | — | None | — | — | JP | disclosed |
| JP-2237964-A | — | — | None | — | — | JP | disclosed |
| JP-2237963-A | — | — | None | — | — | JP | disclosed |
| JP-H02237963-A | TROPOLONE DERIVATIVE | NIPPON SHOKUBAI KAGAKU KOGYO CO LTD | 1990-09-20 | — | — | JP | disclosed |
| JP-H02237964-A | TROPOLONE DERIVATIVE | NIPPON SHOKUBAI KAGAKU KOGYO CO LTD | 1990-09-20 | — | — | JP | disclosed |
| JP-H02237961-A | PENTAFLUOROBENZOIC ACID ESTERS | NIPPON SHOKUBAI KAGAKU KOGYO CO LTD | 1990-09-20 | — | — | JP | disclosed |