Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CASP1 | P29466 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1382276 | 0.85 | HSP90AA1 (0.71) | IDO1HSP90AA1HSP90AB1CYP1A2KDM4E | |
| SCHEMBL13064134 | 0.80 | IDO1 (0.93) | IDO1HSP90AA1HSP90AB1CYP1A2KDM4E | |
| SCHEMBL3072942 | 0.80 | TRPV1 (0.46) | IDO1ALDH1A1LMNACYP2D6CYP2C19 | |
| SCHEMBL11527742 | 0.77 | ADH1B (0.44) | IDO1KDM4EALDH1A1ADRB2NPSR1 | |
| SCHEMBL10597073 | 0.77 | ADH1B (0.44) | IDO1KDM4EALDH1A1ADRB2NPSR1 | |
| SCHEMBL11526271 | 0.77 | ADH1B (0.44) | IDO1KDM4EALDH1A1ADRB2NPSR1 | |
| SCHEMBL11584047 | 0.77 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1KDM4EALDH1A1HTR1A | |
| SCHEMBL6038007 | 0.77 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1KDM4EALDH1A1HTR1A | |
| SCHEMBL28963638 | 0.77 | KDM4E (0.57) | IDO1KDM4ELMNAHPGD | |
| SCHEMBL28963762 | 0.77 | KDM4E (0.57) | IDO1KDM4ELMNAHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8399447-B2 | Metal triangulo compound and methods of using the same | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2013-03-19 | — | — | US | disclosed |
| US-20100209431-A1 | METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME | NATIONAL UNIVERSITY OF SINGAPORE | 2010-08-19 | — | — | US | disclosed |
| EP-2147005-A1 | METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME | National University of Singapore (SG) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008127197-A1 | METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2008-10-23 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100209431-A1 | METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME | CASP3, BAX, CASP7 | IDO1 3883/4885HSP90AA1 3253/4885HSP90AB1 3213/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.