Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11025027 | 0.93 | TSHR (0.45) | ALDH1A1TSHRHCAR2NAAALMNA | |
| SCHEMBL11025767 | 0.82 | MEN1 (0.37) | ALDH1A1TSHRLMNACYP2D6CYP2C9 | |
| SCHEMBL11027703 | 0.81 | CHRNB2 (0.33) | — | |
| SCHEMBL11024455 | 0.81 | CHRNB2 (0.33) | TSHRLMNA | |
| SCHEMBL11027039 | 0.79 | CHRM2 (0.32) | — | |
| SCHEMBL12711010 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRHPGDATMHCAR2 | |
| SCHEMBL11027207 | 0.78 | CHRM2 (0.32) | — | |
| SCHEMBL11028133 | 0.77 | TSHR (0.51) | ALDH1A1TSHRATMTDP1L3MBTL1 | |
| SCHEMBL11027485 | 0.77 | ABCB11 (0.33) | ALDH1A1TSHRCYP3A4 | |
| SCHEMBL11028715 | 0.77 | ABCB11 (0.33) | ALDH1A1TSHRCYP3A4 |
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-4479002-A | CHEMICAL INTERMEDIATES FOR INSECTICIDES, PESTICIDES | UNION CARBIDE CORPORATION (US) | 1984-10-23 | — | — | US | disclosed |
| US-4341795-A | PESTICIDES; INSECTICIDES; MITICIDES | UNION CARBIDE CORPORATION (US) | 1982-07-27 | — | — | US | disclosed |