Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 1/20 | 0.65 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.65 |
| ▸ | ESR1 | P03372 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | UQCRB | P14927 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28145577 | 0.91 | ESR1 (0.58) | MMP3BCL2L1ESR1MEN1KMT2A | |
| SCHEMBL487058 | 0.89 | CA12 (0.48) | MMP3BCL2L1ESR1MEN1KMT2A | |
| SCHEMBL2785940 | 0.89 | ALDH1A1 (0.50) | MMP3BCL2L1MAPTCA12CA1 | |
| SCHEMBL15114876 | 0.87 | MEN1 (0.58) | MMP3BCL2L1ESR1MEN1KMT2A | |
| SCHEMBL8772023 | 0.86 | ALDH1A1 (0.47) | MMP3BCL2L1LMNAMAPTHTT | |
| SCHEMBL12336913 | 0.84 | ALDH1A1 (0.42) | MMP3BCL2L1MAPTCA12CA1 | |
| SCHEMBL18338 | 0.83 | CA1 (0.50) | ESR1MEN1KMT2AESR2RAB9A | |
| SCHEMBL28678275 | 0.83 | MMP3 (0.94) | MMP3BCL2L1ESR1MEN1KMT2A | |
| SCHEMBL15021569 | 0.83 | ESR1 (0.60) | MMP3BCL2L1ESR1MEN1KMT2A | |
| (Phenylsulfinyl)Benzene SCHEMBL28482857 | 0.81 | CA12 (0.58) | MMP3BCL2L1ESR1MEN1KMT2A |
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-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |