Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21835462 | 0.82 | SMN1; SMN2 (0.40) | ALDH1A1GAASMN1; SMN2LMNAHPGD | |
| SCHEMBL23850384 | 0.80 | NPC1 (0.40) | SMN1; SMN2LMNAHPGDPKM | |
| SCHEMBL23850108 | 0.78 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2HPGDPKM | |
| SCHEMBL28918768 | 0.76 | NPC1 (0.38) | ALDH1A1GAASMN1; SMN2LMNAHPGD | |
| SCHEMBL31370445 | 0.69 | CARM1 (0.34) | SMN1; SMN2LMNAHPGD | |
| SCHEMBL31614172 | 0.68 | ATM (0.40) | ALDH1A1SMN1; SMN2LMNAHPGDPKM | |
| SCHEMBL31304946 | 0.66 | ALDH1A1 (0.37) | ALDH1A1GAASMN1; SMN2LMNAHPGD | |
| SCHEMBL15885794 | 0.66 | CHEK1 (0.34) | SMN1; SMN2LMNAHPGDPKM | |
| SCHEMBL23850381 | 0.65 | ROCK2 (0.44) | ALDH1A1GAASMN1; SMN2LMNAHPGD | |
| SCHEMBL25826817 | 0.65 | ADORA2A (0.41) | ALDH1A1ADORA2AADORA1 |
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-20220033402-A1 | MACROCYCLIC INHIBITORS OF ALK, TRKA, TRKB, AND ROS1 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2022-02-03 | — | — | US | disclosed |
| EP-3883573-A1 | MACROCYCLIC INHIBITORS OF DYRK1A | Dana-Farber Cancer Institute, Inc. (US) | 2021-09-29 | — | — | EP | disclosed |
| EP-3856745-A1 | MACROCYCLIC INHIBITORS OF ALK, TRKA, TRKB, AND ROS1 | Dana Farber Cancer Institute, Inc. (US) | 2021-08-04 | — | — | EP | disclosed |
| WO-2020069118-A1 | MACROCYCLIC INHIBITORS OF ALK, TRKA, TRKB, AND ROS1 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-04-02 | — | — | 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-20220033402-A1 | MACROCYCLIC INHIBITORS OF ALK, TRKA, TRKB, AND ROS1 | ROS1, ALK, NTRK3 | ALDH1A1 697/4885GAA 1990/4885TSHR 1060/4885 |
“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.