Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 8/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | FDPS | P14324 | 3/20 | 0.39 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.34 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15797815 | 0.97 | DNM1 (0.50) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL18720148 | 0.97 | DNM1 (0.50) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL5874836 | 0.86 | DNM1 (0.60) | DNM1MEN1KMT2AALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL11828000 | 0.86 | DNM1 (0.57) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL15335412 | 0.86 | DNM1 (0.46) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL31621148 | 0.86 | DNM1 (0.43) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL27421 | 0.82 | DNM1 (0.42) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL3622952 | 0.82 | DNM1 (0.48) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL115865 | 0.82 | DNM1 (0.55) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL28654242 | 0.82 | DNM1 (0.42) | DNM1MEN1KMT2AALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023212746-A2 | A UNIFIED STRATEGY FOR THE TOTAL SYNTHESES OF ERIBULIN AND A MACROLACTAM ANALOGUE OF HALICHONDRIN B | WILLIAM MARSH RICE UNIVERSITY (US) | 2023-11-02 | — | — | WO | disclosed |
| EP-3710451-A1 | SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES | Bayer Aktiengesellschaft (DE) | 2020-09-23 | — | — | EP | disclosed |
| EP-3710448-A1 | MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES | Bayer Aktiengesellschaft (DE) | 2020-09-23 | — | — | EP | disclosed |
| CN-109715632-A | Macrocyclic indole derivatives | 拜尔公开股份有限公司 | 2019-05-03 | — | — | CN | disclosed |
| EP-2419426-A1 | ( PYRAZOL-3-YL) -1, 3, 4-THIADIAZOL-2-AMINE AND ( PYRAZOL-3-YL) -1, 3, 4-THIAZOL-2-AMINE COMPOUNDS | Glaxo Group Limited (GB) | 2012-02-22 | — | — | EP | disclosed |
| WO-2010118852-A1 | ( PYRAZOL-3-YL) -1, 3, 4-THIADIAZOL-2-AMINE AND ( PYRAZOL-3-YL) -1, 3, 4-THIAZOL-2-AMINE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2010-10-21 | — | — | WO | disclosed |