Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.42 |
| ▸ | TUBB | P07437 | 4/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.42 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.42 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.42 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.42 |
| ▸ | TUBA1A | Q71U36 | 4/20 | 0.42 |
| ▸ | TUBA1C | Q9BQE3 | 4/20 | 0.42 |
| ▸ | TUBB6 | Q9BUF5 | 4/20 | 0.42 |
| ▸ | TUBB2B | Q9BVA1 | 4/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6948270 | 0.85 | CNR2 (0.55) | CHEK2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL17633584 | 0.83 | TOP2A (0.47) | HTTKMT2AMEN1MAPTACHE | |
| SCHEMBL24050778 | 0.78 | PPARG (0.51) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL1892421 | 0.76 | TSHR (0.49) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL18287920 | 0.75 | MAPT (0.56) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL9189114 | 0.74 | TUBB1 (0.53) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL21362021 | 0.73 | ACHE (0.38) | HTTACHE | |
| SCHEMBL28276198 | 0.73 | CNR2 (0.62) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL20157860 | 0.72 | PDE10A (0.38) | KMT2AMAPTACHEALDH1A1 | |
| SCHEMBL14495329 | 0.72 | TSHR (0.47) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030229079-A1 | 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof | PAYNE LINDA S (US) | 2003-12-11 | — | — | US | disclosed |
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| EP-1196384-A4 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO INC (US) | 2002-10-23 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1196384-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | Merck & Co., Inc. (US) | 2002-04-17 | — | — | EP | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-2001000578-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | 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-20030229079-A1 | 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof | CYP2S1, IMPDH1, IDO1 | CHEK2 1964/4885TUBB4A 2104/4885TUBB 2172/4885 |
“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.