Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL21872305 | 0.85 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AHPGDUSP2 | |
| SCHEMBL21872429 | 0.85 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL19300116 | 0.84 | HPGD (0.44) | ALDH1A1NPC1RAB9AHPGDUSP2 | |
| SCHEMBL21872290 | 0.82 | ALDH1A1 (0.44) | ALDH1A1NPC1RAB9AHPGDUSP2 | |
| SCHEMBL21872289 | 0.80 | ALDH1A1 (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL20154111 | 0.76 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL24014177 | 0.75 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL4509618 | 0.73 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL23542540 | 0.71 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL24085372 | 0.70 | IDO1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-20180155296-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2018-06-07 | — | — | 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 (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-20180155296-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | ROCK1, MYLK, ROCK2 | ALDH1A1 1252/4885NPC1 2709/4885RAB9A 564/4885 |
“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.