Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5792626 | 0.87 | TSHR (0.48) | PARP1TSHRKDM4EKMT2ATDP1 | |
| SCHEMBL310877 | 0.85 | TSHR (0.51) | TSHRKDM4EKMT2ATDP1POLB | |
| SCHEMBL27860947 | 0.82 | KMT2A (0.43) | PARP1TSHRKDM4EKMT2ATDP1 | |
| SCHEMBL8773146 | 0.81 | TSHR (0.51) | PARP1TSHRKDM4EKMT2ATDP1 | |
| SCHEMBL3295168 | 0.80 | TSHR (0.43) | PARP1TSHRKDM4EKMT2ATDP1 | |
| SCHEMBL16956953 | 0.80 | ALDH1A1 (0.44) | TSHRKMT2ATDP1POLBALDH1A1 | |
| SCHEMBL366798 | 0.80 | GPR35 (0.56) | PARP1TSHRKDM4EKMT2ATDP1 | |
| SCHEMBL30682787 | 0.80 | TSHR (0.43) | PARP1TSHRKDM4EKMT2ATDP1 | |
| SCHEMBL2636763 | 0.79 | ALDH1A1 (0.62) | TSHRKMT2ATDP1POLBL3MBTL1 | |
| SCHEMBL782111 | 0.79 | GPR35 (0.55) | PARP1TSHRKDM4EKMT2ATDP1 |
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-20170128479-A1 | TREATMENT OF PEROXISOME BIOGENESIS DISORDER | HOSPITAL FOR SICK CHILDREN (CA) | 2017-05-11 | — | — | US | disclosed |
| WO-2015192198-A1 | TREATMENT OF PEROXISOME BIOGENESIS DISORDER | THE HOSPITAL FOR SICK CHILDREN (CA) | 2015-12-23 | — | — | WO | disclosed |
| CN-103169973-A | Treatment of breast cancer with iodonitrobenzamides in combination with anti-tumor agents | BIPAR SCIENCES INC | 2013-06-26 | — | — | CN | disclosed |
| US-20120269861-A1 | TREATMENT OF BREAST CANCER WITH IODONITROBENZAMIDES IN COMBINATION WITH ANTI-TUMOR AGENTS | BIPAR SCIENCES, INC. (US) | 2012-10-25 | — | — | US | disclosed |
| US-7994222-B2 | Poly(ADP-ribose) polymerase inhibitor is preferably 3-nitro-4-iodobenzamide; administered orally, topically, parenerally, transdermally, or rectally; anticarcinogenic and antidiabetic agents; obesity, cardiovascular disease | BIPAR SCIENCES, INC. (US) | 2011-08-09 | — | — | US | disclosed |
| US-5877185-A | THERAPY FOR CANCER OR RETROVIRUS | OCTAMER, INC. (US) | 1999-03-02 | — | — | US | disclosed |
| WO-1996022791-A9 | NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS | — | 1996-10-03 | — | — | WO | disclosed |
| WO-1996022791-A1 | NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS | OCTAMER, INC. (US) | 1996-08-01 | — | — | 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 (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-20170128479-A1 | TREATMENT OF PEROXISOME BIOGENESIS DISORDER | CLN6, COQ8A, TFEB | PARP1 2960/4885TSHR 3880/4885KDM4E 3766/4885 |
| US-20120269861-A1 | TREATMENT OF BREAST CANCER WITH IODONITROBENZAMIDES IN COMBINATION WITH ANTI-TUMOR AGENTS | ERBB2, EGFR, ERBB3 | PARP1 1746/4885TSHR 160/4885KDM4E 2001/4885 |
“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.