Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | KDM1A | O60341 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14464611 | 0.85 | SIGMAR1 (0.63) | SLC6A2ADRA1ASIGMAR1GAAMAPT | |
| SCHEMBL20170444 | 0.78 | TAAR1 (0.55) | ALDH1A1TAAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4430278 | 0.77 | ATM (0.58) | ALDH1A1TAAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL56059 | 0.77 | ADH1B (0.61) | ALDH1A1TAAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7963483 | 0.77 | NPC1 (0.52) | ALDH1A1TAAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4553369 | 0.77 | NPC1 (0.52) | ALDH1A1TAAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3084417 | 0.76 | ADH1B (0.60) | ALDH1A1LMNACYP3A4CYP2D6IDO1 | |
| Hydrochloric Acid SCHEMBL9344083 | 0.76 | L3MBTL1 (0.52) | ALDH1A1TAAR1NPC1RAB9ASMN1; SMN2 | |
| Ethyne SCHEMBL1921118 | 0.74 | ADH1B (0.57) | ALDH1A1TAAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20751749 | 0.74 | ALDH1A1 (0.54) | ALDH1A1TAAR1NPC1RAB9ASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6403633-B2 | USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-06-11 | — | — | US | claimed |
| WO-2024173710-A1 | AMMONIUM CATIONS IN PEROVSKITE SOLAR CELLS AND USES THEREOF | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2024-08-22 | — | — | WO | disclosed |
| WO-2021177519-A1 | PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING, AS ACTIVE INGREDIENT, COMPLEX OF BIGUANIDE-BASED COMPOUND AND FLAVONE, HYDROXYFLAVONE, FLAVANONE, FLAVONE DERIVATIVE, HYDROXYFLAVONE DERIVATIVE, OR FLAVANONE DERIVATIVE | (주)프론트바이오 | 2021-09-10 | — | — | WO | disclosed |