Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL7114567 | 0.84 | TDP1 (0.46) | ALDH1A1HTTCYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL7119702 | 0.81 | PKM (0.48) | ALDH1A1HTTCYP3A4MEN1KMT2A | |
| SCHEMBL7809317 | 0.77 | TSHR (0.60) | ALDH1A1CYP3A4SMN1; SMN2CYP1A2MEN1 | |
| SCHEMBL11873259 | 0.76 | GAA (0.58) | ALDH1A1HTTCYP2C9CYP3A4CYP1A2 | |
| SCHEMBL25138828 | 0.75 | ALDH1A1 (0.78) | ALDH1A1HTTCYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL11872043 | 0.75 | GAA (0.64) | ALDH1A1HTTCYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL22781757 | 0.73 | HDAC3 (0.48) | ALDH1A1HTTCYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL22781784 | 0.73 | HDAC3 (0.48) | ALDH1A1HTTCYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL9678663 | 0.72 | GAA (0.50) | ALDH1A1HTTCYP2C9CYP3A4CYP1A2 | |
| SCHEMBL9678655 | 0.72 | GAA (0.50) | ALDH1A1HTTCYP2C9CYP3A4CYP1A2 |
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-20010036961-A1 | Substituted alkylene diamine compounds | CV THERAPEUTICS, INC. | 2001-11-01 | — | — | US | claimed |
| WO-2001062711-A2 | SUBSTITUTED ALKYLENE DIAMINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2001-08-30 | — | — | WO | claimed |
| US-20010036961-A1 | Substituted alkylene diamine compounds | CV THERAPEUTICS, INC. | 2001-11-01 | — | — | US | disclosed |
| WO-2001062711-A2 | SUBSTITUTED ALKYLENE DIAMINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2001-08-30 | — | — | 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-20010036961-A1 | Substituted alkylene diamine compounds | TNNC1, CPT1B, TNNI3 | ALDH1A1 37/4885HTT 4829/4885CYP2C9 2128/4885 |
“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.