Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.56 |
| ▸ | PNMT | P11086 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL3298586 | 0.76 | IDO1 (0.64) | IDO1PNMTTAAR1SIGMAR1POLB | |
| SCHEMBL29494831 | 0.74 | IDO1 (0.61) | IDO1PNMTTAAR1SIGMAR1POLB | |
| SCHEMBL407334 | 0.74 | IDO1 (0.61) | IDO1PNMTTAAR1SIGMAR1POLB | |
| SCHEMBL17372921 | 0.74 | IDO1 (0.61) | IDO1PNMTTAAR1SIGMAR1POLB | |
| SCHEMBL112200 | 0.72 | PNMT (0.67) | IDO1PNMTTAAR1SIGMAR1 | |
| SCHEMBL231954 | 0.72 | IDO1 (0.58) | IDO1PNMTTAAR1SIGMAR1POLB | |
| SCHEMBL93982 | 0.72 | IDO1 (0.58) | IDO1PNMTTAAR1SIGMAR1POLB | |
| SCHEMBL6111131 | 0.72 | IDO1 (0.58) | IDO1PNMTTAAR1SIGMAR1POLB | |
| SCHEMBL10128 | 0.72 | IDO1 (0.58) | IDO1PNMTTAAR1SIGMAR1POLB | |
| Hydrochloric Acid SCHEMBL622229 | 0.72 | IDO1 (0.58) | IDO1PNMTTAAR1SIGMAR1POLB |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150175563-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-20150175593-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-8796271-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796268-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| EP-2603214-A1 | HETEROARYLS AND USES THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2013-06-19 | — | — | EP | disclosed |
| US-20120178723-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120172345-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-05 | — | — | US | disclosed |
| WO-2012021696-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |
| US-7256197-B2 | Methods for synthesis of diarylmethanes | DANA-FARBER CANCER INSTITUTE (US) | 2007-08-14 | — | — | US | disclosed |
| US-20040267011-A1 | Methods for synthesis of diarylmethanes | DANA-FARBER CANCER INSTITUTE | 2004-12-30 | — | — | US | disclosed |
| WO-2003031458-A1 | METHODS FOR SYNTHESIS OF DIARYLMETHANES | DANA-FARBER CANCER INSTITUTE (US) | 2003-04-17 | — | — | 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 (5 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-20120172345-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | IDO1 120/4885PNMT 3520/4885TAAR1 2002/4885 |
| US-20040267011-A1 | Methods for synthesis of diarylmethanes | DHFR, DPYD, DHODH | IDO1 277/4885PNMT 300/4885TAAR1 1128/4885 |
| US-20150175563-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | IDO1 120/4885PNMT 3520/4885TAAR1 2002/4885 |
| US-20120178723-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | IDO1 139/4885PNMT 3688/4885TAAR1 2292/4885 |
| US-20150175593-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | IDO1 139/4885PNMT 3688/4885TAAR1 2292/4885 |
“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.