Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 9/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.43 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.43 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL6864148 | 1.00 | ALDH1A1 (0.52) | ALDH1A1TSHRNAAAEPHX1EPHX2 | |
| Cyclohexylamine SCHEMBL28097700 | 0.92 | TSHR (0.44) | ALDH1A1TSHRNAAAEPHX1EPHX2 | |
| SCHEMBL25282168 | 0.92 | ALDH1A1 (0.56) | ALDH1A1TSHRNAAAEPHX1GNAI3 | |
| Octane SCHEMBL27874847 | 0.87 | GNAI3 (0.52) | TSHRNAAAEPHX1EPHX2GNAI3 | |
| Cyclohexylamine SCHEMBL6868158 | 0.86 | EPHX1 (0.58) | NAAAEPHX1EPHX2GNAI3GNAO1 | |
| Cyclohexylamine SCHEMBL588721 | 0.85 | CYP1A2 (0.50) | NAAAEPHX1GNAI3GNAO1GNAI1 | |
| Cyclohexylamine SCHEMBL6859173 | 0.84 | TSHR (0.56) | ALDH1A1TSHRNAAAEPHX1EPHX2 | |
| SCHEMBL28272457 | 0.83 | TSHR (0.54) | ALDH1A1TSHREPHX1GNAI3GNAO1 | |
| Cyclopropane SCHEMBL5981815 | 0.82 | TSHR (0.77) | ALDH1A1TSHRNAAAEPHX1GNAI3 | |
| Cyclohexylamine SCHEMBL29057250 | 0.80 | CYP1A2 (0.50) | ALDH1A1TSHRNAAAGNAI3GNAO1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6806289-B1 | SUCH AS AMMINE (2-AMINO-3-PICOLINE) DICHLOROPLATINUM(II); EFFICIENCY AND SELECTIVITY FOR DESTROYING TRANSFORMED CELLS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-10-19 | — | — | US | disclosed |