Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | FASN | P49327 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SPR | P35270 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CPS1 | P31327 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL9866909 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ANPC1MAPK1 | |
| SCHEMBL9867176 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| SCHEMBL5803990 | 0.79 | DRD2 (0.42) | FASNP2RX7NPC1CYP11B1CYP11B2 | |
| SCHEMBL10395236 | 0.75 | CPS1 (0.55) | ALDH1A1OPRL1MEN1KMT2ACPS1 | |
| SCHEMBL25334618 | 0.72 | NPC1 (0.50) | ALDH1A1FASNSPRP2RX7NPC1 | |
| SCHEMBL29392929 | 0.69 | MAOB (0.58) | ALDH1A1KMT2ANPC1CYP11B1CYP11B2 | |
| SCHEMBL325429 | 0.69 | MAOB (0.58) | ALDH1A1KMT2ANPC1CYP11B1CYP11B2 | |
| SCHEMBL26922704 | 0.69 | USP30 (0.54) | — | |
| SCHEMBL13923623 | 0.68 | MEN1 (0.61) | ALDH1A1OPRL1MEN1KMT2AHPGD | |
| SCHEMBL21383779 | 0.68 | CES2 (0.46) | ALDH1A1OPRL1MEN1KMT2AHPGD |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8399455-B2 | Compounds useful as chemokine receptor antagonists | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-03-19 | — | — | US | disclosed |
| US-8399455-B2 | Compounds useful as chemokine receptor antagonists | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-03-19 | — | — | US | disclosed |
| US-8399455-B2 | Compounds useful as chemokine receptor antagonists | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-03-19 | — | — | US | disclosed |
| US-20100234356-A1 | COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | US | disclosed |
| US-20100234356-A1 | COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | US | disclosed |
| US-20100234356-A1 | COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | US | disclosed |
| US-7635698-B2 | Compounds useful as chemokine receptor antagonists | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-12-22 | — | — | US | disclosed |
| US-7635698-B2 | Compounds useful as chemokine receptor antagonists | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-12-22 | — | — | US | disclosed |
| US-7635698-B2 | Compounds useful as chemokine receptor antagonists | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-12-22 | — | — | US | disclosed |
| US-20060189628-A1 | Compounds useful as chemokine receptor antagonists | MILLENNIUM PHARMACEUTICALS, INC. | 2006-08-24 | — | — | 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 (2 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-20100234356-A1 | COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS | ACKR3, CCR5, CXCR2 | ALDH1A1 1889/4885OPRL1 80/4885MEN1 2336/4885 |
| US-20060189628-A1 | Compounds useful as chemokine receptor antagonists | ACKR3, CCR5, CXCR2 | ALDH1A1 1889/4885OPRL1 80/4885MEN1 2336/4885 |
“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.