Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TST | Q16762 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9736230 | 1.00 | ESR1 (0.38) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9735859 | 1.00 | ESR1 (0.38) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL5850674 | 0.99 | MPI (0.37) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9615201 | 0.86 | GPR3 (0.37) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL12723283 | 0.86 | ESR1 (0.40) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL11778009 | 0.81 | MPI (0.42) | KDM4EALDH1A1MPITDP1 | |
| SCHEMBL13231599 | 0.77 | ESR1 (0.35) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9734981 | 0.76 | PDK2 (0.39) | ALDH1A1LMNACYP3A4CHRM2CHRM1 | |
| SCHEMBL8925479 | 0.75 | SCN9A (0.34) | KDM4EALDH1A1LMNATP53HSD17B10 | |
| SCHEMBL9750159 | 0.74 | MPI (0.38) | MPITDP1 |
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-5130442-A | Compounds for forming color in recording material based on acid developers | BAYER AKTIENGESELLSCHAFT (DE) | 1992-07-14 | — | — | US | disclosed |
| EP-0431425-A2 | Chromogen enamine compounds, their preparation and use as colour formers | BAYER AG (DE) | 1991-06-12 | — | — | EP | disclosed |