Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | CTSS | P25774 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| SCHEMBL1629694 | 0.88 | CYP3A4 (0.47) | ATMCTSBCTSSCTSKCTSL | |
| SCHEMBL27858541 | 0.87 | CYP3A4 (0.46) | ATMCTSBCTSSCTSKCTSL | |
| SCHEMBL1628776 | 0.84 | MMP2 (0.53) | ATMCTSBCTSSCTSKCTSL | |
| SCHEMBL3323188 | 0.83 | MMP2 (0.54) | ATMCTSBCTSSCTSKCTSL | |
| SCHEMBL3323186 | 0.83 | MMP2 (0.54) | ATMCTSBCTSSCTSKCTSL | |
| SCHEMBL390825 | 0.82 | ATM (0.46) | ATMCTSBCTSSCTSKCTSL | |
| SCHEMBL390824 | 0.82 | ATM (0.46) | ATMCTSBCTSSCTSKCTSL | |
| SCHEMBL6479809 | 0.81 | IDO1 (0.52) | ATMCTSBCTSSCTSKCTSL | |
| Hydrochloric Acid SCHEMBL3825774 | 0.80 | IDO1 (0.51) | ATMCTSBCTSSCTSKCTSL | |
| Hydrochloric Acid SCHEMBL7297833 | 0.80 | IDO1 (0.51) | ATMCTSBCTSSCTSKCTSL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2376427-B1 | CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2017-08-02 | — | — | EP | disclosed |