Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.54 |
| ▸ | TACR2 | P21452 | 2/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | SHBG | P04278 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | TST | Q16762 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9598141 | 0.93 | ALDH1A1 (0.63) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL10463001 | 0.91 | ALDH1A1 (0.67) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL2093823 | 0.91 | ALDH1A1 (0.51) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9600015 | 0.91 | ALDH1A1 (0.67) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8750600 | 0.91 | ALDH1A1 (0.67) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL10463150 | 0.91 | ALDH1A1 (0.67) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL6002491 | 0.87 | ALDH1A1 (0.47) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8750441 | 0.85 | LPL (0.48) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL83869 | 0.84 | CA2 (0.65) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL7700366 | 0.84 | ALDH1A1 (0.52) | ALDH1A1ESR1ADRA2AADORA3TACR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5691307-A | ANTITUMOR AGENTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-11-25 | — | — | US | disclosed |
| US-4913837-A | Heterocyclic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-04-03 | — | — | US | disclosed |