Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.70 |
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4209355 | 0.85 | NPC1 (0.72) | ALDH1A1TDP1PKMTSHRSIRT2 | |
| SCHEMBL6405832 | 0.83 | ALDH1A1 (1.00) | ALDH1A1TDP1PKMTSHRMEN1 | |
| SCHEMBL6403245 | 0.74 | TSHR (0.82) | ALDH1A1PKMTSHRMEN1KMT2A | |
| SCHEMBL19274604 | 0.73 | CYP3A4 (0.60) | ALDH1A1TSHRMEN1KMT2ACYP2C9 | |
| SCHEMBL6408137 | 0.73 | SIRT2 (0.69) | TDP1PKMTSHRMEN1KMT2A | |
| SCHEMBL16409978 | 0.73 | SIRT2 (1.00) | ALDH1A1TSHRMEN1KMT2ASIRT2 | |
| SCHEMBL791569 | 0.72 | MAOB (1.00) | MAOB | |
| SCHEMBL4206785 | 0.72 | RAB9A (0.75) | ALDH1A1TSHRMEN1KMT2ACYP2C19 | |
| SCHEMBL4214358 | 0.70 | LMNA (0.71) | ALDH1A1TDP1TSHRMEN1KMT2A | |
| SCHEMBL5968206 | 0.70 | ALDH1A1 (0.54) | ALDH1A1TDP1PKMTSHRMEN1 |
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-10000511-B2 | Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-06-19 | — | — | US | disclosed |
| US-20170281649-A1 | COMPOUNDS AND THERAPEUTIC USES | UNITY BIOTECHNOLOGY, INC. | 2017-10-05 | — | — | US | disclosed |
| US-20150315211-A1 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-11-05 | — | — | US | disclosed |
| US-20130035304-A1 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR | 2013-02-07 | — | — | 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 (4 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-20170281649-A1 | COMPOUNDS AND THERAPEUTIC USES | TP53, NQO1, SHMT2 | ALDH1A1 545/4885TDP1 77/4885PKM 1966/4885 |
| US-20130035304-A1 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | MCL1, BCL2, BCL2L1 | ALDH1A1 2862/4885TDP1 2063/4885PKM 2938/4885 |
| US-10000511-B2 | Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders | MCL1, BCL2, BCL2L1 | ALDH1A1 2862/4885TDP1 2063/4885PKM 2938/4885 |
| US-20150315211-A1 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | MCL1, BCL2, BCL2L1 | ALDH1A1 2862/4885TDP1 2063/4885PKM 2938/4885 |
“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.