Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.63 |
| ▸ | RAB9A | P51151 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.53 |
| ▸ | RXRA | P19793 | 1/20 | 0.52 |
| ▸ | CTSK | P43235 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2063068 | 0.92 | SMN1; SMN2 (0.73) | SMN1; SMN2HPGDNPC1RAB9ACYP1A2 | |
| SCHEMBL3245222 | 0.89 | SMPD1 (0.67) | SMN1; SMN2HPGDNPC1RAB9ACYP1A2 | |
| Bicarbonate SCHEMBL5499351 | 0.88 | SMN1; SMN2 (0.68) | SMN1; SMN2HPGDNPC1RAB9ACYP1A2 | |
| Bicarbonate SCHEMBL5499350 | 0.88 | SMN1; SMN2 (0.68) | SMN1; SMN2HPGDNPC1RAB9ACYP1A2 | |
| SCHEMBL4939800 | 0.87 | NPC1 (0.62) | SMN1; SMN2HPGDNPC1RAB9AMAPT | |
| SCHEMBL2188210 | 0.87 | SMPD1 (0.76) | SMN1; SMN2HPGDNPC1RAB9ACYP1A2 | |
| Bicarbonate SCHEMBL5504807 | 0.85 | SMPD1 (0.62) | SMN1; SMN2HPGDNPC1RAB9ACYP1A2 | |
| Bicarbonate SCHEMBL5504809 | 0.85 | SMPD1 (0.62) | SMN1; SMN2HPGDNPC1RAB9ACYP1A2 | |
| SCHEMBL30820546 | 0.84 | SMN1; SMN2 (0.62) | SMN1; SMN2HPGDNPC1RAB9ACYP1A2 | |
| SCHEMBL18660058 | 0.84 | SMN1; SMN2 (0.62) | SMN1; SMN2HPGDNPC1RAB9ACYP1A2 |
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-8609673-B2 | Vandetanib derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2013-12-17 | — | — | US | disclosed |
| US-20110117084-A1 | VANDETANIB DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | US | disclosed |
| WO-2009094211-A1 | QUINAZOLINE COMPOUNDS AND METHODS OF TREATING CANCER | CONCERT PHARMACEUTICALS INC. (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2009094210-A1 | VANDETANIB DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2009-07-30 | — | — | 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-20110117084-A1 | VANDETANIB DERIVATIVES | KDR, VHL, FLT4 | SMN1; SMN2 4223/4885HPGD 1690/4885NPC1 1750/4885 |
“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.