Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | CCR6 | P51684 | 2/20 | 0.51 |
| ▸ | MITF | O75030 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | GALR2 | O43603 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | XBP1 | P17861 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL396778 | 0.85 | NPC1 (0.54) | ALDH1A1SMN1; SMN2CCR6MITFPOLB | |
| SCHEMBL9088684 | 0.84 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2CCR6MITFPOLB | |
| SCHEMBL10877588 | 0.84 | GPR35 (0.55) | ALDH1A1SMN1; SMN2CCR6MITFPOLB | |
| SCHEMBL8837568 | 0.83 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2CCR6MITFPOLB | |
| SCHEMBL11282260 | 0.83 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2CCR6MITFPOLB | |
| SCHEMBL3475651 | 0.82 | HTT (0.49) | ALDH1A1POLBLMNAHPGDNPSR1 | |
| SCHEMBL9761593 | 0.80 | NPC1 (0.57) | ALDH1A1SMN1; SMN2CCR6MITFPOLB | |
| SCHEMBL14114749 | 0.79 | SMN1; SMN2 (0.61) | ALDH1A1SMN1; SMN2CCR6MITFPOLB | |
| SCHEMBL6750268 | 0.79 | SMN1; SMN2 (0.65) | ALDH1A1SMN1; SMN2CCR6MITFPOLB | |
| SCHEMBL27733033 | 0.79 | AKR1B1 (0.51) | ALDH1A1SMN1; SMN2CCR6MITFPOLB |
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-8623905-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-07 | — | — | US | disclosed |
| US-8575209-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-05 | — | — | US | disclosed |
| US-20110071206-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-24 | — | — | US | disclosed |
| US-20110060024-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-10 | — | — | US | 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 (2 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-20110071206-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | ALDH1A1 1961/4885SMN1; SMN2 4738/4885CCR6 1927/4885 |
| US-20110060024-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | ALDH1A1 1961/4885SMN1; SMN2 4738/4885CCR6 1927/4885 |
“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.