Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL10617986 | 0.82 | CA1 (0.59) | MAPTCES2CES1SMN1; SMN2NPC1 | |
| SCHEMBL6049096 | 0.82 | CA1 (0.59) | MAPTCES2CES1SMN1; SMN2NPC1 | |
| SCHEMBL14868118 | 0.81 | TSHR (0.56) | TDP1ALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL15081529 | 0.81 | TSHR (0.56) | TDP1ALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL14868116 | 0.81 | TSHR (0.56) | TDP1ALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL3757531 | 0.78 | CES2 (0.65) | TDP1ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL23581791 | 0.78 | HPGD (0.48) | TDP1ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL6743518 | 0.76 | ALDH1A1 (0.58) | TDP1ALDH1A1MAPTGAALMNA | |
| SCHEMBL9300725 | 0.75 | TDP1 (0.57) | TDP1ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL7991716 | 0.75 | CES2 (0.60) | TDP1ALDH1A1MAPTKDM4EGAA |
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-20200055873-A1 | NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2020-02-20 | — | — | 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-20200055873-A1 | NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY | NR4A3, CCR3, NCOA3 | TDP1 2564/4885ALDH1A1 4179/4885MAPT 4604/4885 |
“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.