Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TK1 | P04183 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | PNP | P00491 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6826568 | 0.80 | ADORA3 (0.45) | TK1ADORA3HPGDPNPBLM | |
| SCHEMBL28707584 | 0.80 | TK1 (0.46) | TK1ADORA3HPGDPNPBLM | |
| SCHEMBL28237443 | 0.79 | HPGD (0.46) | TK1ADORA3HPGDPNPBLM | |
| SCHEMBL1964956 | 0.79 | TK1 (0.46) | TK1ADORA3HPGDPNPBLM | |
| SCHEMBL27592223 | 0.79 | TK1 (0.45) | TK1ADORA3HPGDPNPBLM | |
| SCHEMBL16555280 | 0.78 | TK1 (0.44) | TK1ADORA3HPGDPNPBLM | |
| SCHEMBL8863836 | 0.78 | ADORA3 (0.41) | TK1ADORA3HPGDPNPBLM | |
| SCHEMBL28384881 | 0.78 | ADORA3 (0.48) | TK1ADORA3HPGDPNPBLM | |
| SCHEMBL28899787 | 0.78 | ADORA3 (0.48) | TK1ADORA3HPGDPNPBLM | |
| SCHEMBL3970963 | 0.78 | ADORA3 (0.48) | TK1ADORA3HPGDPNPBLM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5622945-A | Rubyrin macrocycles | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1997-04-22 | — | — | US | disclosed |
| WO-1996021665-A1 | TURCASARINS, NOVEL EXPANDED PORPHYRINS, AND USES THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1996-07-18 | — | — | WO | disclosed |
| US-5410045-A | As anion chelators, receptors and transporters | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1995-04-25 | — | — | US | disclosed |