Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GRK6 | P43250 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14925500 | 0.82 | GAA (0.51) | ESR1ESR2GAAMEN1KMT2A | |
| SCHEMBL27984491 | 0.79 | RAB9A (0.70) | MEN1KMT2ANPC1RAB9AMAPT | |
| SCHEMBL2575510 | 0.78 | POLB (0.47) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21815183 | 0.78 | KMT2A (0.68) | ESR1ESR2MEN1KMT2ANPC1 | |
| SCHEMBL23188417 | 0.77 | GAA (0.59) | ESR1ESR2PIK3CAPIK3CBGAA | |
| SCHEMBL22439286 | 0.77 | ESR1 (0.53) | ESR1ESR2PIK3CAPIK3CBGAA | |
| SCHEMBL10964722 | 0.76 | MEN1 (0.61) | ESR1ESR2MEN1KMT2ANPC1 | |
| SCHEMBL7997880 | 0.74 | ESR1 (0.50) | ESR1ESR2PIK3CAPIK3CBGAA | |
| SCHEMBL24331721 | 0.73 | MEN1 (0.61) | GAAMEN1KMT2AMAPTCYP1A2 | |
| SCHEMBL22077654 | 0.73 | MAPT (0.47) | ESR1ESR2GAANPC1RAB9A |
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-5093495-A | Benzoheterocyclic compounds | SHELL OIL COMPANY (US) | 1992-03-03 | — | — | US | disclosed |
| US-5071996-A | Benzheterocyclic compounds | SHELL OIL COMPANY (US) | 1991-12-10 | — | — | US | disclosed |